SCHEMBL6562353

SCHEMBL6562353

NC(=O)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.61
PKM P14618 1/20 0.61
PTGS1 P23219 1/20 0.61
XIAP P98170 1/20 0.61
SLC7A5 Q01650 1/20 0.61
EPHX1 P07099 1/20 0.60
CYP1A2 P05177 1/20 0.59
MDM2 Q00987 1/20 0.59
PPARG P37231 1/20 0.56
PPARD Q03181 1/20 0.56
PPARA Q07869 1/20 0.56
SRR Q9GZT4 3/20 0.55
SLC1A3 P43003 2/20 0.55
SLC1A2 P43004 2/20 0.55
SLC1A1 P43005 2/20 0.55
CPA1 P15085 2/20 0.52
CPA3 P15088 2/20 0.52
FOLH1 Q04609 1/20 0.52
CPB1 P15086 1/20 0.52
CPB2 Q96IY4 1/20 0.52

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
SCHEMBL2109313 0.93 EPHX1 (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL392827 0.86 CYP1A2 (0.70) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL11558859 0.86 ALPI (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7080137 0.86 EPHX1 (0.55) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28377626 0.84 CYP1A2 (0.67) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28314499 0.84 CYP1A2 (0.67) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL27876635 0.84 CYP1A2 (0.67) ALPIPKMPTGS1XIAPSLC7A5
Hydrochloric Acid SCHEMBL7304155 0.84 CYP1A2 (0.67) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL28862293 0.83 PPARG (0.50) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6687587 0.83 ALPI (0.57) ALPIPKMPTGS1XIAPSLC7A5

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO claimed
EP-0444482-B1 Oxetanones HOFFMANN LA ROCHE (CH) 1996-01-17 EP claimed
WO-2016109501-A1 AMIDE COMPOUNDS AS TRYPTOPHAN HYDROXYLASE INHIBITORS KAROS PHARMACEUTICALS, INC. (US) 2016-07-07 WO disclosed
US-20040258620-A1 (Ethylene)-( propylene)-triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents SCHERING AG (DE) 2004-12-23 US disclosed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP disclosed
EP-1397339-A1 (ETHYLENE)-(PROPYLENE)-TRIAMINEPENTAACETIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS Schering Aktiengesellschaft (DE) 2004-03-17 EP disclosed
US-20030194371-A1 (Ethylene)-(propylene) - triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents SCHERING AG (DE) 2003-10-16 US disclosed
WO-2003000647-A1 (ETHYLENE)-(PROPYLENE)-TRIAMINEPENTAACETIC ACID DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND THEIR USE FOR THE PRODUCTION OF PHARMACEUTICAL AGENTS SCHERING AG (DE) 2003-01-03 WO disclosed
EP-1189638-A2 PHARMACEUTICAL COMPOSITION CONTAINING SIBUTRAMINE AND A LIPASE INHIBITOR KNOLL AKTIENGESELLSCHAFT (DE) 2002-03-27 EP disclosed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
WO-2001000187-A2 PHARMACEUTICAL COMPOSITION CONTAINING SIBUTRAMINE AND A LIPASE INHIBITOR KNOLL AKTIENGESELLSCHAFT (DE) 2001-01-04 WO disclosed
WO-2000045635-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION BIOSCIENCE AG (DE) 2000-08-10 WO disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed
US-4156016-A ANTICOAGULANTS HOFFMANN-LA ROCHE INC. (US) 1979-05-22 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 (2 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-20040258620-A1 (Ethylene)-( propylene)-triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents EEA1, PCTP, TTPA ALPI 1939/4885PKM 781/4885PTGS1 501/4885
US-20030194371-A1 (Ethylene)-(propylene) - triaminepentaacetic acid derivatives, process for their production, and their use for the production of pharmaceutical agents PGD, AADAT, TRHDE ALPI 3251/4885PKM 269/4885PTGS1 711/4885

“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.