Sugi Predict

Sugi Predict / Compounds / SCHEMBL101152

SCHEMBL101152

SCHEMBL101152

FC(F)(F)Oc1ccc(CBr)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SLC1A5 Q15758 2/20 0.40
▸ HCRTR1 O43613 3/20 0.40
▸ HCRTR2 O43614 3/20 0.40
▸ SCN3A Q9NY46 2/20 0.40
▸ SCN1A P35498 1/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ SCN2A Q99250 1/20 0.40
▸ SCN10A Q9Y5Y9 1/20 0.40
▸ KMO O15229 2/20 0.39
▸ PGK1 P00558 1/20 0.38
▸ ROCK2 O75116 1/20 0.38

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
SCHEMBL934710 0.86 EPHX1 (0.44) PGK1
SCHEMBL10582291 0.84 TTR (0.45) MEN1ALDH1A1KMT2ASLC1A5HCRTR1
SCHEMBL2239066 0.83 RXRA (0.37) HCRTR1HCRTR2
SCHEMBL3118077 0.82 CSNK2A1 (0.56) SLC1A5HCRTR1HCRTR2SCN3ASCN1A
SCHEMBL3083420 0.82 NPC1 (0.48) SLC1A5HCRTR1HCRTR2SCN3ASCN1A
SCHEMBL25178686 0.82 SLC1A5 (0.40) SLC1A5HCRTR1HCRTR2SCN3ASCN1A
SCHEMBL169779 0.82 PGK1 (0.44) SLC1A5HCRTR1HCRTR2PGK1
SCHEMBL4493894 0.82 IDO1 (0.52) SLC1A5HCRTR1HCRTR2SCN3ASCN1A
SCHEMBL4533966 0.80 EPHX2 (0.46) HCRTR1HCRTR2
SCHEMBL2245517 0.80 MBOAT4 (0.43) MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344360-A 1-Phenyl-tetrahydro-beta-carboline derivative and preparation method and application thereof 寒武智元(南京)生物医药科技有限公司 2024-07-16 — — CN disclosed
EP-3455224-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AG (DE) 2024-03-27 — — EP disclosed
US-20230339890-A1 AMINO ALCOHOL COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. 2023-10-26 — — US disclosed
US-20230339890-A1 AMINO ALCOHOL COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. 2023-10-26 — — US disclosed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 — — WO disclosed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 — — WO disclosed
CN-109476658-B Substituted 5,6,7, 8-tetrahydro [1,2,4] triazolo [4,3-a ] pyridin-3 (2H) -ones and 2,5,6, 7-tetrahydro-3H-pyrrolo [2,1-c ] [1,2,4] triazol-3-ones and uses thereof 拜耳公司 2021-08-10 — — CN disclosed
WO-2020200317-A1 TETRAHYDROISOQUINOLINE SULFONYLAMIDE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 上海海雁医药科技有限公司 2020-10-08 — — WO disclosed
WO-2020192553-A1 SULFONYL-SUBSTITUTED BENZOHETEROCYCLIC FORMAMIDE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 上海海雁医药科技有限公司 2020-10-01 — — WO disclosed
WO-2020192553-A1 SULFONYL-SUBSTITUTED BENZOHETEROCYCLIC FORMAMIDE DERIVATIVE, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF 上海海雁医药科技有限公司 2020-10-01 — — WO disclosed
US-7084178-B2 Antiamyloid phenylsulfonamides: N-cycloalkylcarboxamides derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-01 — — US disclosed
WO-2005082909-A1 GLUCOCORTICOID RECEPTOR MODULATOR COMPOUNDS AND METHODS- UTILITY LIGAND PHARMACEUTICALS INCORPORATED (US) 2005-09-09 — — WO disclosed
WO-2005054180-A1 ANTIAMYLOID PHENYLSULFONAMIDES: N-CYCLOALKYLCARBOXAMIDES DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY (US) 2005-06-16 — — WO disclosed
US-20050113442-A1 Antiamyloid phenylsulfonamides: N-cycloalkylcarboxamides derivatives BRISTOL-MYERS SQUIBB COMPANY 2005-05-26 — — US disclosed
US-20040224961-A1 Novel thiazolo (4,5-D) pyrimidine compounds ASTRAZENECA UK LIMITED, A BRITISH CORPORATION 2004-11-11 — — US disclosed
US-6790850-B1 Thiazolo(4,5-d)pyrimidine compounds ASTRAZENECA UK LIMITED (GB) 2004-09-14 — — US disclosed
EP-1222195-B1 NOVEL THIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS ASTRAZENECA UK LTD (GB) 2004-01-14 — — EP disclosed
EP-1348709-A2 Thiazolo (4,5-D) pyrimidine compounds AstraZeneca UK Limited (GB) 2003-10-01 — — EP disclosed
EP-1222195-A1 NOVEL THIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS AstraZeneca UK Limited (GB) 2002-07-17 — — EP disclosed
WO-2001025242-A1 NOVEL THIAZOLO(4,5-D)PYRIMIDINE COMPOUNDS ASTRAZENECA UK LIMITED (GB) 2001-04-12 — — 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 (3 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-20040224961-A1 Novel thiazolo (4,5-D) pyrimidine compounds TYMS, DPYD, TYMP MEN1 3011/4885ALDH1A1 307/4885KMT2A 4000/4885
US-20050113442-A1 Antiamyloid phenylsulfonamides: N-cycloalkylcarboxamides derivatives APP, PSEN1, PSEN2 MEN1 4607/4885ALDH1A1 3997/4885KMT2A 4497/4885
US-20230339890-A1 AMINO ALCOHOL COMPOUNDS AND USES THEREOF AADAT, SLC1A2, SLC1A1 MEN1 2191/4885ALDH1A1 153/4885KMT2A 867/4885

“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.