SCHEMBL4826192

SCHEMBL4826192

O=C(O)[C@@H](Br)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.61
ALPI P09923 1/20 0.57
PKM P14618 1/20 0.57
PTGS1 P23219 1/20 0.57
XIAP P98170 1/20 0.57
SLC7A5 Q01650 1/20 0.57
CPA1 P15085 6/20 0.53
CPA3 P15088 3/20 0.53
FOLH1 Q04609 1/20 0.53
CPB1 P15086 1/20 0.53
CPB2 Q96IY4 1/20 0.53
SRR Q9GZT4 2/20 0.52
SLC1A3 P43003 2/20 0.52
SLC1A2 P43004 2/20 0.52
SLC1A1 P43005 2/20 0.52
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MDM2 Q00987 1/20 0.50

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
SCHEMBL4316458 1.00 CYP1A2 (0.61) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL490844 1.00 CYP1A2 (0.61) CYP1A2ALPIPKMPTGS1XIAP
Bromide SCHEMBL1596942 0.98 CYP1A2 (0.59) CYP1A2ALPIPKMPTGS1XIAP
Ethylenediamine SCHEMBL5766632 0.92 ALPI (0.55) CYP1A2ALPIPKMPTGS1XIAP
Toluene SCHEMBL6466953 0.90 CYP1A2 (0.52) CYP1A2ALPIPKMPTGS1XIAP
Toluene SCHEMBL6466957 0.90 CYP1A2 (0.52) CYP1A2ALPIPKMPTGS1XIAP
Acetonitrile SCHEMBL27829383 0.89 CYP1A2 (0.50) CYP1A2ALPIPKMPTGS1XIAP
Nitrous Acid SCHEMBL9333501 0.89 CYP1A2 (0.50) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL6382096 0.88 SRR (0.57) PTGS1CPA1SRR
SCHEMBL5766696 0.87 CYP1A2 (0.48) CYP1A2ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7388098-B2 Dynamic resolution of isomers and resolved isomers BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US claimed
CN-1639109-A Kinetic resolution of isomers and resolved isomers BRISTOL MYERS SQUIBB CO (US) 2005-07-13 CN claimed
EP-1324975-A2 DYNAMIC RESOLUTION OF ISOMERS AND RESOLVED ISOMERS Bristol-Myers Squibb Company (US) 2003-07-09 EP claimed
US-20020111512-A1 Dynamic resolution of isomers and resolved isomers BRISTOL-MYERS SQUIBB COMPANY 2002-08-15 US claimed
WO-2002028809-A2 DYNAMIC RESOLUTION OF ISOMERS AND RESOLVED ISOMERS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-04-11 WO claimed
US-7388098-B2 Dynamic resolution of isomers and resolved isomers BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-7388098-B2 Dynamic resolution of isomers and resolved isomers BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-7388098-B2 Dynamic resolution of isomers and resolved isomers BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
EP-1324975-B1 DYNAMIC RESOLUTION OF ISOMERS AND RESOLVED ISOMERS BRISTOL MYERS SQUIBB CO (US) 2005-11-16 EP disclosed
CN-1639109-A Kinetic resolution of isomers and resolved isomers BRISTOL MYERS SQUIBB CO (US) 2005-07-13 CN disclosed
EP-1324975-A2 DYNAMIC RESOLUTION OF ISOMERS AND RESOLVED ISOMERS Bristol-Myers Squibb Company (US) 2003-07-09 EP disclosed
EP-0641343-B1 4-MERCAPTOACETYLAMINO-[2] BENZAZEPINONE(3) DERIVATIVES, AND USE AS ENKEPHALINASE INHIBITORS MERRELL PHARMA INC (US) 2003-06-25 EP disclosed
EP-0783002-A2 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1997-07-09 EP disclosed
US-5646276-A ANGIOTENSIN CONVERTING ENZYME AND NEUTRAL ENDOPEPTIDASE INHIBITORS; CARDIOVASCULAR DISORDERS BRISTOL-MYERS SQUIBB CO. (US) 1997-07-08 US disclosed
US-5552397-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-09-03 US disclosed
US-5496805-A DIURETIC, HYPOTENSIVE E. R. SQUIBB & SONS, INC. (US) 1996-03-05 US disclosed
EP-0641343-A1 4-MERCAPTOACETYLAMINO- 2] BENZAZEPINONE(3) DERIVATIVES, AND USE AS ENKEPHALINASE INHIBITORS MERRELL PHARMACEUTICALS INC. (US) 1995-03-08 EP disclosed
EP-0599444-A1 Dual action inhibitors E.R. SQUIBB & SONS, INC. (US) 1994-06-01 EP disclosed
WO-1993023397-A1 4-MERCAPTOACETYLAMINO-[2] BENZAZEPINONE(3) DERIVATIVES, AND USE AS ENKEPHALINASE INHIBITORS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-11-25 WO disclosed
US-5238932-A Mercaptoacetylamide tricyclic derivatives useful as inhibitors of enkephalinase MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-24 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 (1 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-20020111512-A1 Dynamic resolution of isomers and resolved isomers DHCR24, LPAR1, SLC7A1 CYP1A2 1752/4885ALPI 1764/4885PKM 4224/4885

“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.