SCHEMBL1852791

SCHEMBL1852791

CC(C)(C)OC(=O)NCc1ccc(CCC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.58
NR1H4 Q96RI1 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.51
HDAC1 Q13547 1/20 0.50
NAMPT P43490 2/20 0.49
CA1 P00915 2/20 0.49
CA2 P00918 1/20 0.49
FFAR1 O14842 6/20 0.49
GAA P10253 1/20 0.49
FFAR4 Q5NUL3 1/20 0.48
SDCBP O00560 1/20 0.47
SDC2 P34741 1/20 0.47
PPARG P37231 1/20 0.47
CA12 O43570 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46

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
SCHEMBL22527028 0.91 CA1 (0.50) EPHX2NR1H4L3MBTL1HDAC1NAMPT
SCHEMBL22526832 0.90 CA1 (0.49) EPHX2NR1H4L3MBTL1HDAC1NAMPT
SCHEMBL22527035 0.89 S1PR1 (0.51) EPHX2NR1H4L3MBTL1HDAC1NAMPT
SCHEMBL24542517 0.88 L3MBTL1 (0.51) EPHX2NR1H4L3MBTL1HDAC1NAMPT
SCHEMBL4498509 0.88 CA2 (0.57) EPHX2NR1H4NAMPTCA1CA2
SCHEMBL3180689 0.87 L3MBTL1 (0.61) L3MBTL1HDAC1NAMPTCA1CA2
SCHEMBL8143923 0.87 CA1 (0.51) EPHX2NR1H4L3MBTL1HDAC1NAMPT
SCHEMBL5931039 0.87 HTT (0.59) L3MBTL1HDAC1NAMPTCA1CA2
SCHEMBL8130509 0.87 L3MBTL1 (0.50) EPHX2NR1H4L3MBTL1HDAC1NAMPT
SCHEMBL5729298 0.86 GLS (0.54) EPHX2NR1H4HDAC1CA1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106834081-A A kind of vertical purple potato pears compound fruit vinegar fermentation tank control system and its method of work 徐州工程学院 2017-06-13 CN claimed
EP-3305900-A1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES Nuevolution A/S (DK) 2018-04-11 EP disclosed
CN-106834081-A A kind of vertical purple potato pears compound fruit vinegar fermentation tank control system and its method of work 徐州工程学院 2017-06-13 CN disclosed
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
EP-1401809-B1 TRYPTASE INHIBITORS ALTANA PHARMA AG (DE) 2006-12-20 EP disclosed
US-20050256171-A1 Pyrrolidine derivatives as tryptase inhibitors ALTANA PHARMA A G (DE) 2005-11-17 US disclosed
US-6962941-B2 Tryptase inhibitors ALTANA PHARMA AG (DE) 2005-11-08 US disclosed
US-6960588-B1 Tryptase inhibitors ALTANA PHARMA AG (DE) 2005-11-01 US disclosed
US-6924305-B2 Diazocine derivatives and their use as tryptase inhibitors ALTANA PHARMA AG (DE) 2005-08-02 US disclosed
EP-0483667-B1 Cyclic imino derivatives, process for their preparation and drugs containing them THOMAE GMBH DR K (DE) 1998-02-04 EP disclosed
US-5616620-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-04-01 US disclosed
EP-0386839-B1 Tetrahydroquinoline derivatives useful for neurodegenerative disorders MERCK SHARP & DOHME (GB) 1997-01-15 EP disclosed
US-5591769-A PYRROLIDINE DERIVATIVES; ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-01-07 US disclosed
US-5541343-A ANTIAGGLOMERANTS FOR CELLS OR ANTICOAGULANTS KARL THOMAE GMBH (DE) 1996-07-30 US disclosed
EP-0680469-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME Dr. Karl Thomae GmbH (DE) 1995-11-08 EP disclosed
WO-1994017035-A1 AMINOACID DERIVATES, MEDICAMENTS CONTAINING THESE COMPOUNDS AND PROCESS FOR PREPARING THE SAME DR. KARL THOMAE GMBH (DE) 1994-08-04 WO disclosed
US-5231102-A Tetrahydroquinoline derivatives useful for neurodegenerative disorders MERCK SHARP & DOHME, LTD. (GB) 1993-07-27 US disclosed
EP-0483667-A2 Cyclic imino derivatives, process for their preparation and drugs containing them Dr. Karl Thomae GmbH (DE) 1992-05-06 EP disclosed
EP-0386839-A2 Tetrahydroquinoline derivatives useful for neurodegenerative disorders MERCK SHARP & DOHME LTD. (GB) 1990-09-12 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 (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-20050256171-A1 Pyrrolidine derivatives as tryptase inhibitors TPSAB1, TPSB2, TPSD1 EPHX2 2345/4885NR1H4 4137/4885L3MBTL1 4162/4885

“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.