SCHEMBL1018494

SCHEMBL1018494

O=C(O)c1ccc(CBr)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.47
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
KLKB1 P03952 1/20 0.41
CTSB P07858 1/20 0.41
MMP9 P14780 1/20 0.41
DNMT1 P26358 1/20 0.41
DNMT3B Q9UBC3 1/20 0.41
DNMT3L Q9UJW3 1/20 0.41
DNMT3A Q9Y6K1 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
LCK P06239 2/20 0.40
FYN P06241 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CDC25B P30305 1/20 0.40
CASP6 P55212 1/20 0.40
RCE1 Q9Y256 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7577366 0.90 CSNK2A1 (0.43) PTPN1CES2CES1TSHRHSD17B10
SCHEMBL27707315 0.85 PTPN1 (0.44) PTPN1KLKB1CTSBMMP9DNMT1
SCHEMBL7514179 0.84 PTPN1 (0.47) PTPN1CES2CES1KLKB1CTSB
SCHEMBL3663320 0.84 PTPN1 (0.47) PTPN1KLKB1CTSBMMP9DNMT1
SCHEMBL2857663 0.83 KLKB1 (0.48) PTPN1CES2CES1KLKB1CTSB
SCHEMBL16411990 0.82 PTPN1 (0.46) PTPN1KLKB1CTSBMMP9DNMT1
SCHEMBL7532562 0.82 ALDH1A1 (0.48) PTPN1TSHRHSD17B10AGTR1AGTR2
SCHEMBL22231145 0.82 PTPN1 (0.46) PTPN1KLKB1CTSBMMP9DNMT1
SCHEMBL28784114 0.82 PTPN1 (0.46) PTPN1KLKB1CTSBMMP9DNMT1
SCHEMBL10254119 0.82 MAOB (0.43) PTPN1CES2CES1ALDH1A1CYP4F2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260022114-A1 N-(5-SUBSTITUTED-[(1,3,4-THIADIAZOLYL) OR (1,3-THIAZOLYL)](SUBSTITUTED)CARBOXAMIDE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING THE AMIDE COMPOUNDS AND OF THEIR USE GILEAD SCIENCES, INC. 2026-01-22 US disclosed
EP-4594316-A1 N-(5-SUBSTITUTED-[(1,3,4-THIADIAZOLYL) OR (1,3-THIAZOLYL)](SUBSTITUTED)CARBOXAMIDE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING THE AMIDE COMPOUNDS AND OF THEIR USE Repare Therapeutics Inc. (CA) 2025-08-06 EP disclosed
US-20250026748-A1 N-(5-SUBSTITUTED-[(1,3,4-THIADIAZOLYL) OR (THIAZOLYL)])(SUBSTITUTED)CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR INHIBITING HUMAN POLYMERASE THETA REPARE THERAPEUTICS INC. (CA) 2025-01-23 US disclosed
WO-2024197401-A1 1,3,4-THIADIAZOL-2-YL CARBOXAMIDE AND 1,3-THIAZOL-2-YL CARBOXAMIDE COMPOUNDS AND USES THEREOF AS INHIBITORS OF HUMAN POLYMERASE THETA REPARE THERAPEUTICS INC. (CA) 2024-10-03 WO disclosed
EP-4408841-A1 N-(5-SUBSTITUTED-[(1,3,4-THIADIAZOLYL) OR (THIAZOLYL)])(SUBSTITUTED)CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR INHIBITING HUMAN POLYMERASE THETA Repare Therapeutics Inc. (CA) 2024-08-07 EP disclosed
CN-112566905-B Substituted phenylpropenyl pyridine derivatives, preparation method and medical application thereof 上海海雁医药科技有限公司 2024-07-30 CN disclosed
CN-118355015-A N- (5-substituted- [ (1, 3, 4-thiadiazole) or (thiazolyl) ]) (substituted) carboxamide compounds for inhibiting human polymerase θ and uses thereof 修复治疗公司 2024-07-16 CN disclosed
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2024-04-11 US disclosed
WO-2024069592-A1 N-(5-SUBSTITUTED-[(L,3,4-THIADIAZOLYL) OR (L,3-THIAZOLYL)](SUBSTITUTED)CARBOXAMIDE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING THE AMIDE COMPOUNDS AND OF THEIR USE REPARE THERAPEUTICS INC. (CA) 2024-04-04 WO disclosed
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING GENENTECH, INC. (US) 2023-08-24 US disclosed
US-6777433-B2 BIS((DIFLUORO-PHOSPHONATO-METHYL)PHENYL) DERIVATIVES; ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK FROSST CANADA & CO. (CA) 2004-08-17 US disclosed
US-6583126-B2 Treating diabetes, obesity, and diabetes-related diseases. MERCK EROSST CANADA & CO. 2003-06-24 US disclosed
US-20030114703-A1 Protein tyrosine phosphatase 1B (PTP-1B) inhibitors containing two ortho-substituted aromatic phosphonates MERCK FROSST CANADA LTD. (CA) 2003-06-19 US disclosed
US-6486142-B2 A,A-DIFLUOROBENZYLPHOSPHONIC ACID DERIVATIVES MERCK FROSST CANADA & CO. (CA) 2002-11-26 US disclosed
EP-1242431-A1 AROMATIC PHOSPHONATES AS PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) INHIBITORS Merck Frosst Canada & Co. (CA) 2002-09-25 EP disclosed
US-6448429-B1 TREATING OR PREVENTING PTP-1B MEDIATED DISEASES, INCLUDING DIABETES, OBESITY, AND DIABETES-RELATED CONDITIONS. MERCK FROSST CANADA & CO. (CA) 2002-09-10 US disclosed
US-20020058644-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) MERCK FROSST CANADA LTD. (CA) 2002-05-16 US disclosed
US-20020052347-A1 Protein tyrosine phosphatase 1B (PTP-1B) inhibitors containing two ortho-substituted aromatic phosphonates MERCK FROSST CANADA LTD. (CA) 2002-05-02 US disclosed
US-20020052344-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase IB (PTP-IB) MERCK FROSST CANADA LTD. (CA) 2002-05-02 US disclosed
WO-2001046204-A1 AROMATIC PHOSPHONATES AS PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-06-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20260022114-A1 N-(5-SUBSTITUTED-[(1,3,4-THIADIAZOLYL) OR (1,3-THIAZOLYL)](SUBSTITUTED)CARBOXAMIDE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF PREPARING THE AMIDE COMPOUNDS AND OF THEIR USE POLK, POLQ, POLB PTPN1 2879/4885CES2 3473/4885CES1 2070/4885
US-20250026748-A1 N-(5-SUBSTITUTED-[(1,3,4-THIADIAZOLYL) OR (THIAZOLYL)])(SUBSTITUTED)CARBOXAMIDE COMPOUNDS AND USE THEREOF FOR INHIBITING HUMAN POLYMERASE THETA POLA1, POLL, POLD1 PTPN1 1331/4885CES2 1623/4885CES1 507/4885
US-20020058644-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) PPM1B, PTPRO, PTPA PTPN1 13/4885CES2 1819/4885CES1 239/4885
US-20020052344-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase IB (PTP-IB) PTPRO, PTPRC, PPM1B PTPN1 17/4885CES2 1502/4885CES1 307/4885
US-20230265054-A1 PYRIDYL INHIBITORS OF HEDGEHOG SIGNALLING SHH, GLI1, SMO PTPN1 268/4885CES2 4810/4885CES1 4187/4885
US-20240116872-A1 PYRIDYL INHIBITORS FOR HEDGEHOG SIGNALLING SHH, GLI1, SMO PTPN1 273/4885CES2 4809/4885CES1 4133/4885
US-20030114703-A1 Protein tyrosine phosphatase 1B (PTP-1B) inhibitors containing two ortho-substituted aromatic phosphonates PTPRO, PTPN1, PTPRS PTPN1 2/4885CES2 1385/4885CES1 217/4885
US-20020052347-A1 Protein tyrosine phosphatase 1B (PTP-1B) inhibitors containing two ortho-substituted aromatic phosphonates PTPRO, PTPN1, PTPRS PTPN1 2/4885CES2 1385/4885CES1 217/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.