SCHEMBL226975

SCHEMBL226975

CN(C)CCCc1cccc(NC(=C2C(=O)Nc3cc(F)ccc32)c2ccc(CCC(=O)O)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.39
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
FFAR1 O14842 5/20 0.38
NR1H4 Q96RI1 4/20 0.37
PPARG P37231 3/20 0.37
PPARA Q07869 2/20 0.37
PPARD Q03181 2/20 0.37
FLT3 P36888 2/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
FGFR1 P11362 1/20 0.36
KDR P35968 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
ALOX15 P16050 1/20 0.36
BACE1 P56817 1/20 0.35
HSPH1 Q92598 1/20 0.35
MET P08581 2/20 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
SCHEMBL226974 1.00 PLK1 (0.39) PLK1ITGB3ITGA2BFFAR1NR1H4
SCHEMBL226633 0.95 ITGB3 (0.39) ITGB3ITGA2BFFAR1NR1H4PPARG
SCHEMBL226632 0.95 ITGB3 (0.39) ITGB3ITGA2BFFAR1NR1H4PPARG
SCHEMBL226903 0.94 PLK1 (0.39) PLK1ITGB3ITGA2BFFAR1NR1H4
SCHEMBL226902 0.94 PLK1 (0.39) PLK1ITGB3ITGA2BFFAR1NR1H4
SCHEMBL4500851 0.93 LPAR1 (0.39) PLK1NR1H4PPARGPPARAPPARD
SCHEMBL4500854 0.93 LPAR1 (0.39) PLK1NR1H4PPARGPPARAPPARD
SCHEMBL225728 0.93 BACE1 (0.40) FFAR1NR1H4PPARGFLT3BACE1
SCHEMBL225727 0.93 BACE1 (0.40) FFAR1NR1H4PPARGFLT3BACE1
SCHEMBL227345 0.92 FFAR1 (0.39) PLK1ITGB3ITGA2BFFAR1PPARG

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 12 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-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 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 (7 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 PLK1 2901/4885ITGB3 2013/4885ITGA2B 3612/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR PLK1 100/4885ITGB3 2319/4885ITGA2B 4234/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR PLK1 86/4885ITGB3 1840/4885ITGA2B 3308/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR PLK1 100/4885ITGB3 2319/4885ITGA2B 4234/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 PLK1 2901/4885ITGB3 2013/4885ITGA2B 3612/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 PLK1 2901/4885ITGB3 2013/4885ITGA2B 3612/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 PLK1 83/4885ITGB3 2074/4885ITGA2B 3803/4885

“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.