Sugi Predict

Sugi Predict / Compounds / SCHEMBL661387

SCHEMBL661387

SCHEMBL661387

COC(=O)C(Br)c1ccccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 1/20 0.44
▸ ABCB11 O95342 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ NR1I2 O75469 1/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ ADRA2A P08913 1/20 0.43
▸ CYP2B6 P20813 1/20 0.43
▸ DRD1 P21728 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ OPRK1 P41145 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ KCNH2 Q12809 1/20 0.43
▸ P2RY12 Q9H244 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ ADRB2 P07550 2/20 0.40
▸ ADRB1 P08588 2/20 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
SCHEMBL1417549 1.00 CASP1 (0.44) CASP1ABCB11THRBNR1I2CHRM2
SCHEMBL14009484 1.00 CASP1 (0.44) CASP1ABCB11THRBNR1I2CHRM2
SCHEMBL4596673 0.94 KMT2A (0.42) CASP1ABCB11THRBNR1I2CHRM2
SCHEMBL11276948 0.87 KMT2A (0.50) KMT2AALDH1A1
SCHEMBL9535176 0.86 CXCL8 (0.46) ABCB11ALDH1A1
SCHEMBL5327049 0.83 CASP1 (0.56) CASP1CYP2C19KMT2AALDH1A1
SCHEMBL30296727 0.82 CA12 (0.43) CASP1CYP2C19KMT2AALDH1A1HIF1A
SCHEMBL26620210 0.82 CA12 (0.43) CASP1CYP2C19KMT2AALDH1A1HIF1A
SCHEMBL6487230 0.81 ALDH1A1 (0.56) CASP1ABCB11THRBNR1I2CHRM2
SCHEMBL30065589 0.80 NR3C2 (0.52) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009080469-A1 PROCESS FOR THE PREPARATION OF CLOPIDOGREL BISULPHATE FORM I SANDOZ AG (CH) 2009-07-02 — — WO claimed
EP-1980563-A1 Procedure for the preparation of methyl (+)-(S)-Alpha-(O-chlorophenyl)-6,7-dihydrothieno-[3,2-C]pyridine-5(4H) acetate BATTULA, Srinivasa Reddy (IN) 2008-10-15 — — EP claimed
EP-1848720-A1 RAPID RESOLUTION PROCESS FOR CLOPIDOGREL BASE AND A PROCESS FOR PREPARATION OF CLOPIDOGREL BISULFATE POLYMORPH - FORM I USV LIMITED (IN) 2007-10-31 — — EP claimed
WO-2006087729-A1 RAPID RESOLUTION PROCESS FOR CLOPIDOGREL BASE AND A PROCESS FOR PREPARATION OF CLOPIDOGREL BISULFATE POLYMORPH - FORM I USV LIMITED (IN) 2006-08-24 — — WO claimed
EP-0785205-B1 2-SILYLOXYTETRAHYDROTHIENOPYRIDINE, SALT THEREOF, AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES (JP) 2002-04-17 — — EP claimed
US-5874581-A CHEMICAL INTERMEDIATE OF AN ANTIPLATELET MEDICINE AND AN ELASTASE INHIBITOR; REACTING A HALOSILANE AND A 2-OXO-4,5,6,7 -TETRAHYDROTHIENO(3,2-C)PYRIDINE IN THE PRESENCE OF A TERTIARY AMINE UBE INDUSTRIES, LTD. (JP) 1999-02-23 — — US claimed
EP-0785205-A1 2-SILYLOXYTETRAHYDROTHIENOPYRIDINE, SALT THEREOF, AND PROCESS FOR PRODUCING THE SAME UBE INDUSTRIES, LTD. (JP) 1997-07-23 — — EP claimed
US-12263159-B2 Fused ring compound having urea structure Sanford Burnham Prebys Medical Discovery Institute (US) 2025-04-01 — — US disclosed
US-20240285597-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE DAIICHI SANKYO COMPANY LIMITED (JP) 2024-08-29 — — US disclosed
US-11918568-B2 Fused ring compound having urea structure Sanford Burnham Prebys Medical Discovery Institute (US) 2024-03-05 — — US disclosed
CN-110300744-B Compounds for optically active devices 爱尔兰眼力健公司 2023-09-15 — — CN disclosed
US-11753387-B2 Compounds for optically active devices Johnson & Johnson Surgical Vision, Inc. (US) 2023-09-12 — — US disclosed
US-11753387-B2 Compounds for optically active devices Johnson & Johnson Surgical Vision, Inc. (US) 2023-09-12 — — US disclosed
WO-1991011999-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 — — WO disclosed
WO-1991012001-A1 ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 — — WO disclosed
WO-1991012002-A1 IMIDAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO., INC. (US) 1991-08-22 — — WO disclosed
US-4435419-A Method of treating depression using azabicyclohexanes AMERICAN CYANAMID COMPANY (US) 1984-03-06 — — US disclosed
US-4231935-A ANXIOLYTICS AND ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-11-04 — — US disclosed
US-4196120-A 1,2-BIS(HYDROCARBYLSULFONYLOXY OR HALO METHYL)CYCLOPROPYLBENZENE, OPTICAL ACITIVITY ANALGESICS AMERICAN CYANAMID COMPANY (US) 1980-04-01 — — US disclosed
US-4131611-A ANXIOLYTIC, ANALGESIC AMERICAN CYANAMID COMPANY (US) 1978-12-26 — — US 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 (4 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-12263159-B2 Fused ring compound having urea structure NAMPT, NME4, NDUFAB1 CASP1 2983/4885ABCB11 2630/4885THRB 2160/4885
US-11918568-B2 Fused ring compound having urea structure NAMPT, NME4, ABAT CASP1 3294/4885ABCB11 3049/4885THRB 1892/4885
US-20240285597-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE NAMPT, NME4, NDUFAB1 CASP1 2983/4885ABCB11 2630/4885THRB 2160/4885
US-11753387-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D CASP1 2797/4885ABCB11 3968/4885THRB 4502/4885

“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.