SCHEMBL850504

SCHEMBL850504

Cc1cc(C(=O)O)cc(C)c1Br

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPMT P51580 4/20 0.54
TTR P02766 2/20 0.50
HCAR1 Q9BXC0 1/20 0.46
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
NOTUM Q6P988 1/20 0.43
HSD17B10 Q99714 2/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
MYC P01106 1/20 0.42
ESR1 P03372 1/20 0.42
PTPN7 P35236 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CA3 P07451 2/20 0.42

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
SCHEMBL25981011 0.87 CA12 (0.52) TPMTTTRHCAR1CA12CA1
SCHEMBL27300557 0.87 TPMT (0.46) TPMTTTRHCAR1CA12CA1
SCHEMBL31701026 0.85 TTR (0.52) TPMTTTRHCAR1HSD17B10ALOX15
SCHEMBL31700656 0.85 TPMT (0.45) TPMTTTRHCAR1CA12CA1
SCHEMBL2011060 0.85 TPMT (0.45) TPMTTTRHCAR1CA12CA1
SCHEMBL15197099 0.82 CA12 (0.58) TPMTTTRCA12CA1CA2
SCHEMBL12983073 0.80 CA5A (0.48) ALDH1A1SMN1; SMN2TDP1CA5ALMNA
SCHEMBL29710249 0.79 TTR (0.56) TPMTTTRHCAR1CA12CA1
SCHEMBL5631374 0.79 TTR (0.56) TPMTTTRHCAR1CA12CA1
SCHEMBL1572119 0.79 TPMT (0.59) TPMTTTRHCAR1CA12CA1

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
EP-4735422-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS Sanofi (FR) 2026-05-06 EP disclosed
WO-2025006827-A1 SUBSTITUTED CYCLIC COMPOUNDS AND METHODS OF TREATING PHENYLKETONURIA AND OTHER AMINO ACIDURIAS GENZYME CORPORATION (US) 2025-01-02 WO disclosed
CN-112867705-B Opioid receptor modulators and products and methods related thereto 埃皮欧黛公司 2024-08-20 CN disclosed
EP-3774722-B1 OPIOID RECEPTOR MODULATORS AND PRODUCTS AND METHODS RELATED THERETO EPIODYNE INC (US) 2024-07-24 EP disclosed
EP-4302830-A2 QUINAZOLINE DERIVATIVES USED TO TREAT HIV Gilead Sciences, Inc. (US) 2024-01-10 EP disclosed
US-11833142-B2 3-(5-amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof NOVARTIS AG (CH) 2023-12-05 US disclosed
EP-3960735-B1 QUINAZOLINE DERIVATIVES USED TO TREAT HIV GILEAD SCIENCES INC (US) 2023-09-13 EP disclosed
EP-3960735-B1 QUINAZOLINE DERIVATIVES USED TO TREAT HIV GILEAD SCIENCES INC (US) 2023-09-13 EP disclosed
US-20230043136-A1 Quinazoline Compounds INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE AS CR, V.V.I. (CZ) 2023-02-09 US disclosed
US-20230043136-A1 Quinazoline Compounds INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE AS CR, V.V.I. (CZ) 2023-02-09 US disclosed
EP-1858850-A2 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2007-11-28 EP disclosed
EP-1725537-A1 NOVEL COMPOUNDS AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA N.V. (BE) 2006-11-29 EP disclosed
WO-2006099060-A2 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-21 WO disclosed
WO-2006098982-A1 PROCESS FOR THE PREPARATION OF OPIOID MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2006-09-21 WO disclosed
US-20060211863-A1 Process for the preparation of opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-21 US disclosed
US-20060211861-A1 Process for the preparation of opioid modulators JANSSEN PHARMACEUTICA N.V. (BE) 2006-09-21 US disclosed
WO-2005090315-A1 NOVEL COMPOUNDS AS OPIOID RECEPTOR MODULATORS JANSSEN PHARMACEUTICA, N. V. (BE) 2005-09-29 WO disclosed
US-20050203143-A1 use as pain relievers, gastrointestinal disorders such as inflammatory bowel disease; compounds are aminoacetamide derivatives substituted with an imidazole; 5-(([2-Amino-3-(4-carbamoyl-2,6-dimethyl-phenyl)-propionyl]-[1-(4-phenyl-1H-imidazol-2-yl)-ethyl]-amino)-methyl)-2-methoxy-benzoic acid for example JANSSEN PHARMACEUTICA, N. V. (BE) 2005-09-15 US disclosed
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-03-24 US disclosed
EP-1206446-B1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-26 EP 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 (6 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-20050203143-A1 use as pain relievers, gastrointestinal disorders such as inflammatory bowel disease; compounds are aminoacetamide derivatives substituted with an imidazole; 5-(([2-Amino-3-(4-carbamoyl-2,6-dimethyl-phenyl)-propionyl]-[1-(4-phenyl-1H-imidazol-2-yl)-ethyl]-amino)-methyl)-2-methoxy-benzoic acid for example OPRK1, OPRM1, OPRL1 TPMT 196/4885TTR 4685/4885HCAR1 35/4885
US-20060211861-A1 Process for the preparation of opioid modulators OPRM1, OPRK1, OPRL1 TPMT 211/4885TTR 3397/4885HCAR1 351/4885
US-20230043136-A1 Quinazoline Compounds TTBK1, TTBK2, MAPT TPMT 159/4885TTR 1021/4885HCAR1 3895/4885
US-11833142-B2 3-(5-amino-1-oxoisoindolin-2-yl)piperidine-2,6-dione derivatives and uses thereof RXFP3, RXFP1, NPY2R TPMT 497/4885TTR 252/4885HCAR1 254/4885
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F12, F11, F2 TPMT 1945/4885TTR 1194/4885HCAR1 144/4885
US-20060211863-A1 Process for the preparation of opioid modulators OPRM1, OPRK1, OPRL1 TPMT 211/4885TTR 3397/4885HCAR1 351/4885

“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.