SCHEMBL223378

SCHEMBL223378

CCOC(=O)CCc1cccc(C(Nc2ccc(CNCC(=O)OC(C)(C)C)cc2)=C2C(=O)Nc3cc(F)ccc32)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 1/20 0.34
CTNNB1 P35222 1/20 0.34
TCF7L2 Q9NQB0 1/20 0.34
BACE1 P56817 1/20 0.33
AURKA O14965 2/20 0.33
PPID Q08752 1/20 0.33
POLB P06746 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
AURKB Q96GD4 2/20 0.32
S1PR1 P21453 1/20 0.31
SYK P43405 2/20 0.31
EPHX2 P34913 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
VSIR Q9H7M9 1/20 0.31
FPR2 P25090 2/20 0.30
PLK4 O00444 1/20 0.30
CHEK1 O14757 1/20 0.30
MAPK13 O15264 1/20 0.30
PDPK1 O15530 1/20 0.30

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
SCHEMBL223377 1.00 CCNT1 (0.34) CCNT1CTNNB1TCF7L2BACE1AURKA
SCHEMBL226958 0.91 NAMPT (0.36) BACE1AURKAPPIDPOLBAURKB
SCHEMBL226957 0.91 NAMPT (0.36) BACE1AURKAPPIDPOLBAURKB
SCHEMBL224562 0.88 BACE1 (0.37) BACE1AURKAPPIDGPBAR1AURKB
SCHEMBL224563 0.88 BACE1 (0.37) BACE1AURKAPPIDGPBAR1AURKB
SCHEMBL226476 0.87 BACE1 (0.38) BACE1AURKAPOLBGPBAR1AURKB
SCHEMBL226475 0.87 BACE1 (0.38) BACE1AURKAPOLBGPBAR1AURKB
SCHEMBL4494092 0.87 CTNNB1 (0.42) CCNT1CTNNB1TCF7L2BACE1AURKA
SCHEMBL226867 0.86 GPBAR1 (0.37) BACE1AURKAGPBAR1AURKBSYK
SCHEMBL226599 0.86 BACE1 (0.36) CCNT1CTNNB1TCF7L2BACE1AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-08 US disclosed
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 US disclosed
US-7858616-B2 Indolinone derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2010-12-28 US disclosed
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-06 US disclosed
US-7547703-B2 Indoline derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-06-16 US disclosed
EP-1835907-B1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INT (DE) 2009-04-22 EP disclosed
US-7169936-B2 Indolinone derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-30 US disclosed
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS ROTH GERALD J 2007-01-04 US disclosed
US-20060148883-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-07-06 US disclosed
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-02-24 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 (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-20060148883-A1 Medicaments for the Treatment or Prevention of Fibrotic Diseases COL1A1, MMP1, FOXM1 CCNT1 251/4885CTNNB1 1378/4885TCF7L2 2979/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR CCNT1 188/4885CTNNB1 908/4885TCF7L2 2678/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR CCNT1 188/4885CTNNB1 908/4885TCF7L2 2678/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 CCNT1 251/4885CTNNB1 1378/4885TCF7L2 2979/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 CCNT1 251/4885CTNNB1 1378/4885TCF7L2 2979/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 CCNT1 145/4885CTNNB1 824/4885TCF7L2 2940/4885

“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.