SCHEMBL3365625

SCHEMBL3365625

COC(=O)c1cccc2c1NC(=O)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIG1 P18858 1/20 0.66
DAO P14920 2/20 0.53
PTPRC P08575 1/20 0.51
CES1 P23141 2/20 0.49
NSD2 O96028 1/20 0.49
BCHE P06276 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALOX5 P09917 1/20 0.48
ROCK2 O75116 1/20 0.46
CSF1R P07333 1/20 0.46
KDR P35968 1/20 0.46
FLT3 P36888 1/20 0.46
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
CDK5 Q00535 1/20 0.46
ROCK1 Q13464 1/20 0.46
SLK Q9H2G2 1/20 0.46
IRAK4 Q9NWZ3 1/20 0.46
CASP3 P42574 3/20 0.44
MAPT P10636 3/20 0.44

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
SCHEMBL31310235 0.80 LIG1 (1.00) LIG1DAOCES1NSD2BCHE
SCHEMBL1742133 0.80 LIG1 (1.00) LIG1DAOCES1NSD2BCHE
SCHEMBL2921667 0.79 CES1 (0.53) LIG1DAOPTPRCCES1L3MBTL1
SCHEMBL26403502 0.78 LIG1 (0.72) LIG1DAOCES1NSD2BCHE
SCHEMBL2424940 0.75 KDM4E (0.54) PTPRCL3MBTL1ROCK2CSF1RKDR
SCHEMBL3737913 0.74 GSK3B (0.49) PTPRCCES1ALOX5ROCK2CSF1R
SCHEMBL69292 0.74 MAPT (0.61) PTPRCL3MBTL1MAPTMEN1KMT2A
SCHEMBL10648376 0.74 LIG1 (0.49) LIG1DAOCES1NSD2BCHE
SCHEMBL6692699 0.73 LRRK2 (0.49) GSK3B
SCHEMBL5323040 0.73 L3MBTL1 (0.65) LIG1DAOCES1NSD2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160106711-A1 3-3-Di-Substituted-Oxindoles as Inhibitors of Translation Initiation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-21 US disclosed
US-20160106711-A1 3-3-Di-Substituted-Oxindoles as Inhibitors of Translation Initiation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-21 US disclosed
US-20160106711-A1 3-3-Di-Substituted-Oxindoles as Inhibitors of Translation Initiation NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-21 US disclosed
EP-2320906-B1 HETEROCYCLIC AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS BETA PHARMA CANADA INC (CA) 2016-02-24 EP disclosed
WO-2014047437-A1 3-3-DI-SUBSTITUTED-OXINDOLES AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-03-27 WO disclosed
WO-2014047437-A1 3-3-DI-SUBSTITUTED-OXINDOLES AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-03-27 WO disclosed
US-8404736-B2 Heterocyclic amide derivatives as EP4 receptor antagonists BETA PHARMA CANADA INC. (CA) 2013-03-26 US disclosed
US-8404736-B2 Heterocyclic amide derivatives as EP4 receptor antagonists BETA PHARMA CANADA INC. (CA) 2013-03-26 US disclosed
US-20110136887-A1 Heterocyclic Amide Derivatives as EP4 Receptor Antagonists BETA PHARMA CANADA INC. (CA) 2011-06-09 US disclosed
EP-1335901-B1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES MERCK SERONO SA (CH) 2010-04-14 EP disclosed
WO-2010019796-A1 HETEROCYCLIC AMIDE DERIVATIVES AS EP4 RECEPTOR ANTAGONISTS CHEMIETEK, LLC (US) 2010-02-18 WO disclosed
US-7312358-B2 Pharmaceutically active sulfanilide derivatives LABORATOIRES SERONO SA (CH) 2007-12-25 US disclosed
US-20040072816-A1 Pharmaceutically active sulfanilide derivatives MERCK SERONO SA (CH) 2004-04-15 US disclosed
EP-1335901-A1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES Applied Research Systems ARS Holding N.V. (AN) 2003-08-20 EP disclosed
WO-2002032864-A1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2002-04-25 WO disclosed
EP-0341990-B1 Cephalosporins, process for their preparation and pharmaceutical compositions ICI PLC (GB) 1994-11-09 EP disclosed
US-5008259-A Antibiotics active against strains of Pseudomonas and stable to beta-lactamase IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-04-16 US disclosed
EP-0341990-A2 Cephalosporins, process for their preparation and pharmaceutical compositions IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-11-15 EP disclosed
US-4780477-A Isatin compositions having anti-ulcer activities KISSEI PHARMACEUTICAL CO., LTD. (JP) 1988-10-25 US disclosed
EP-0205299-A2 Isatin derivatives, compositions containing the same, and the use thereof for ulcer diseases Kissei Pharmaceutical Co. Ltd. (JP) 1986-12-17 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-20160106711-A1 3-3-Di-Substituted-Oxindoles as Inhibitors of Translation Initiation RIOX2, EIF4A3, RPL35 LIG1 1491/4885DAO 364/4885PTPRC 2194/4885
US-20040072816-A1 Pharmaceutically active sulfanilide derivatives OXTR, AVPR2, OPRL1 LIG1 4488/4885DAO 1849/4885PTPRC 3329/4885
US-20110136887-A1 Heterocyclic Amide Derivatives as EP4 Receptor Antagonists PTGER4, PTGER1, PTGER2 LIG1 4820/4885DAO 3448/4885PTPRC 3654/4885

“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.