Sugi Predict

Sugi Predict / Compounds / SCHEMBL6685124

SCHEMBL6685124

SCHEMBL6685124

NC(Cc1ccccc1)c1nccs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.44
▸ PDPK1 O15530 1/20 0.43
▸ CYP1A2 P05177 1/20 0.41
▸ SLC6A2 P23975 2/20 0.41
▸ TAAR1 Q96RJ0 2/20 0.41
▸ PKM P14618 2/20 0.41
▸ MAOA P21397 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ HSPA1A P0DMV8 1/20 0.40
▸ HSPA5 P11021 1/20 0.40
▸ HSPA9 P38646 1/20 0.40
▸ HSPA2 P54652 1/20 0.40
▸ CTSA P10619 2/20 0.40
▸ PTPRB P23467 1/20 0.39
▸ ADRB3 P13945 1/20 0.39

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
SCHEMBL8143963 1.00 EPHX1 (0.44) EPHX1PDPK1CYP1A2SLC6A2TAAR1
SCHEMBL4379883 1.00 EPHX1 (0.44) EPHX1PDPK1CYP1A2SLC6A2TAAR1
Hydrochloric Acid SCHEMBL22691669 0.98 EPHX1 (0.42) EPHX1PDPK1CYP1A2SLC6A2TAAR1
Hydrochloric Acid SCHEMBL22691671 0.98 EPHX1 (0.42) EPHX1PDPK1CYP1A2SLC6A2TAAR1
SCHEMBL2808151 0.91 PDPK1 (0.46) PDPK1TAAR1HSPA1AHSPA5HSPA9
Trifluoroacetic Acid SCHEMBL28342750 0.89 PTPRB (0.43) PKMHSPA1AHSPA5HSPA9HSPA2
SCHEMBL792960 0.87 LTA4H (0.53) CYP1A2SLC6A2MAOASLC6A3CTSA
Hydrochloric Acid SCHEMBL772237 0.86 LTA4H (0.52) CYP1A2SLC6A2MAOASLC6A3CTSA
SCHEMBL19257973 0.85 RAD52 (0.46) SLC6A4PTPRB
Hydrochloric Acid SCHEMBL20586638 0.83 RAD52 (0.45) MAOASLC6A4PTPRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9003095-A — — None — — JP disclosed
US-12612429-B2 Derivatives of dolaproine-dolaisoleuine peptides AGENSYS, INC. (US) 2026-04-28 — — US disclosed
US-11712480-B2 Heteroaryl sulfone-based conjugation handles, methods for their preparation, and their use in synthesizing antibody drug conjugates PFIZER INC. (US) 2023-08-01 — — US disclosed
US-20220204557-A1 DERIVATIVES OF DOLAPROINE-DOLAISOLEUINE PEPTIDES AGENSYS, INC. (US) 2022-06-30 — — US disclosed
US-11312748-B2 Derivatives of dolaproine-dolaisoleucine peptides AGENSYS, INC. (US) 2022-04-26 — — US disclosed
CN-108650882-B Compositions for treating cancers expressing IGF-1R 皮埃尔法布雷医药公司 2021-09-17 — — CN disclosed
CN-109232712-B Preparation method of intermediate for antibody drug conjugate 联宁（苏州）生物制药有限公司 2021-08-03 — — CN disclosed
US-20210107868-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS PIERRE FABRE MEDICAMENT (FR) 2021-04-15 — — US disclosed
CN-106470708-B Antibody-drug-conjugates and their use for the treatment of cancer 皮埃尔法布雷医药公司 2019-12-31 — — CN disclosed
CN-109232712-A A kind of preparation method of the intermediate for antibody drug conjugates 联宁（苏州）生物制药有限公司 2019-01-18 — — CN disclosed
US-6015790-A Methods and compositions for treating rheumatoid arthritis BASF AKTIENGESELLSCHAFT (DE) 2000-01-18 — — US disclosed
EP-0642530-B1 DERIVATIVES OF DOLASTATIN BASF AG (DE) 1998-08-12 — — EP disclosed
US-5767237-A ANTITUMOR AGENTS TEIKOKU HORMONE MFG. CO., LTD. (JP) 1998-06-16 — — US disclosed
CN-1182434-A Novel peptide derivatives TEIKOKU HORMONE MFG CO LTD (JP) 1998-05-20 — — CN disclosed
EP-0831100-A1 NOVEL PEPTIDE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 1998-03-25 — — EP disclosed
JP-H093095-A NEW PHENETHYLAMIDE DERIVATIVE TEIKOKU HORMONE MFG CO LTD 1997-01-07 — — JP disclosed
WO-1996039399-A1 STEREOSELECTIVE METHOD FOR SYNTHESIZING DOLAPHENINE PHARM-ECO LABORATORIES, INC. (US) 1996-12-12 — — WO disclosed
EP-0731106-A1 NOVEL PEPTIDE DERIVATIVE TEIKOKU HORMONE MFG. CO., LTD. (JP) 1996-09-11 — — EP disclosed
EP-0642530-A1 DERIVATIVES OF DOLASTATIN BASF Aktiengesellschaft (DE) 1995-03-15 — — EP disclosed
WO-1993023424-A1 DERIVATIVES OF DOLASTATIN BASF AKTIENGESELLSCHAFT (DE) 1993-11-25 — — 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 (5 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-20220204557-A1 DERIVATIVES OF DOLAPROINE-DOLAISOLEUINE PEPTIDES DDOST, VIP, THPO EPHX1 2370/4885PDPK1 1684/4885CYP1A2 4496/4885
US-12612429-B2 Derivatives of dolaproine-dolaisoleuine peptides DDOST, NGLY1, GRPR EPHX1 2167/4885PDPK1 3901/4885CYP1A2 4628/4885
US-11312748-B2 Derivatives of dolaproine-dolaisoleucine peptides VIP, DDOST, DNPEP EPHX1 4050/4885PDPK1 1249/4885CYP1A2 4792/4885
US-11712480-B2 Heteroaryl sulfone-based conjugation handles, methods for their preparation, and their use in synthesizing antibody drug conjugates SULT1E1, SULT2A1, STS EPHX1 101/4885PDPK1 4648/4885CYP1A2 144/4885
US-20210107868-A1 DERIVATIVES OF DOLASTATIN 10 AND AURISTATINS NR1H4, HCAR3, VDR EPHX1 1895/4885PDPK1 4580/4885CYP1A2 2433/4885

“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.