SCHEMBL4118353

SCHEMBL4118353

Cc1cc2c(cc1C)C(CC(=O)O)N(c1cccc(F)c1)C2=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.38
STING1 Q86WV6 1/20 0.37
HPGD P15428 3/20 0.36
HIF1A Q16665 1/20 0.36
LMNA P02545 1/20 0.36
CTSA P10619 1/20 0.36
HSD11B1 P28845 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GRM2 Q14416 1/20 0.35
HTT P42858 1/20 0.35
PLAU P00749 1/20 0.35
PLAUR Q03405 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5 P09917 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL4116895 0.87 RXFP1 (0.39) NOTUMSTING1HPGDALDH1A1HTT
SCHEMBL4128092 0.83 ADAMTS5 (0.39) ALDH1A1HTTKMT2A
SCHEMBL4917700 0.83 HTR6 (0.36) STING1LMNAHTTMEN1KMT2A
SCHEMBL4110694 0.82 NOTUM (0.40) NOTUMHPGDHIF1ALMNAHSD11B1
SCHEMBL4117459 0.82 NOTUM (0.37) NOTUMHPGDHIF1ALMNACTSA
SCHEMBL4109519 0.81 CYP11B2 (0.54) HPGDLMNAKDM4EALDH1A1HTT
SCHEMBL4127465 0.80 MEN1 (0.42) NOTUMHSD11B1ALDH1A1GRM2PLAU
SCHEMBL4117131 0.75 RXFP1 (0.38) NOTUMHPGDALDH1A1HTTMEN1
SCHEMBL4115204 0.75 ALDH1A1 (0.45) HPGDLMNAKDM4EALDH1A1HTT
SCHEMBL4117022 0.75 FAAH (0.39) HPGDHSD11B1KDM4EALDH1A1GRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1566378-B1 ISOINDOLINE DERIVATIVE MARUISHI PHARMA (JP) 2012-08-15 EP disclosed
CN-100548980-C The isoindoline derivative MARUISHI PHARMA (JP) 2009-10-14 CN disclosed
US-20090170835-A1 ISOINDOLINE DERIVATIVES MARUISHI PHARMACEUTICAL CO., LTD. 2009-07-02 US disclosed
US-7521451-B2 Isoindoline derivative MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2009-04-21 US disclosed
US-20080021042-A1 Composition For Controlling Neuropathic Pain MARUISHI PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 US disclosed
WO-2008005368-A2 PIPERAZINES AS P2X7 ANTAGONISTS ABBOTT LABORATORIES (US) 2008-01-10 WO disclosed
CN-1956955-A Neuropathic pain controlling agent composition MARUISHI PHARMA (JP) 2007-05-02 CN disclosed
EP-1749817-A1 NEUROGENIC PAIN CONTROL AGENT COMPOSITION Maruishi Pharmaceutical Co., Ltd. (JP) 2007-02-07 EP disclosed
US-20060052392-A1 e.g. 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;intravenous, water-soluble compounds useful for manufacturing an anasthetic, sedative agents; side effect reduction MARUISHI PHARMACEUTICAL CO., LTD 2006-03-09 US disclosed
CN-1741995-A Isoindoline derivative MARUISHI PHARMA (JP) 2006-03-01 CN disclosed
EP-1566378-A1 ISOINDOLINE DERIVATIVE Maruishi Pharmaceutical Co., Ltd. (JP) 2005-08-24 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 (3 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-20060052392-A1 e.g. 5,6-dimethyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione;intravenous, water-soluble compounds useful for manufacturing an anasthetic, sedative agents; side effect reduction CYP3A5, OPRD1, CYP3A7 NOTUM 1379/4885STING1 3478/4885HPGD 530/4885
US-20080021042-A1 Composition For Controlling Neuropathic Pain GAP43, SCN10A, SCN2A NOTUM 3785/4885STING1 1931/4885HPGD 2071/4885
US-20090170835-A1 ISOINDOLINE DERIVATIVES OPRD1, OPRK1, OPRL1 NOTUM 3062/4885STING1 1586/4885HPGD 636/4885

“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.