SCHEMBL225925

SCHEMBL225925

CC(C)(C)OC(=O)CNCc1ccc(NC(=C2C(=O)Nc3cc(F)ccc32)c2ccc(CCC(=O)O)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 1/20 0.38
TCF7L2 Q9NQB0 1/20 0.38
NR1H4 Q96RI1 3/20 0.37
BACE1 P56817 1/20 0.36
FFAR1 O14842 8/20 0.35
S1PR1 P21453 2/20 0.34
FFAR4 Q5NUL3 5/20 0.33
EPHX2 P34913 1/20 0.33
RORC P51449 1/20 0.33
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL225924 1.00 CTNNB1 (0.38) CTNNB1TCF7L2NR1H4BACE1FFAR1
SCHEMBL226599 0.94 BACE1 (0.36) CTNNB1TCF7L2BACE1S1PR1EPHX2
SCHEMBL226600 0.94 BACE1 (0.36) CTNNB1TCF7L2BACE1S1PR1EPHX2
SCHEMBL226703 0.92 CTNNB1 (0.35) CTNNB1TCF7L2BACE1FFAR1S1PR1
SCHEMBL226702 0.92 CTNNB1 (0.35) CTNNB1TCF7L2BACE1FFAR1S1PR1
SCHEMBL4494092 0.91 CTNNB1 (0.42) CTNNB1TCF7L2BACE1S1PR1LMNA
SCHEMBL223529 0.87 BACE1 (0.41) NR1H4BACE1FFAR1FFAR4
SCHEMBL223530 0.87 BACE1 (0.41) NR1H4BACE1FFAR1FFAR4
SCHEMBL225346 0.85 BACE1 (0.42) NR1H4BACE1FFAR1FFAR4
SCHEMBL225345 0.85 BACE1 (0.42) NR1H4BACE1FFAR1FFAR4

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 CTNNB1 1378/4885TCF7L2 2979/4885NR1H4 97/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR CTNNB1 908/4885TCF7L2 2678/4885NR1H4 563/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR CTNNB1 908/4885TCF7L2 2678/4885NR1H4 563/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 CTNNB1 1378/4885TCF7L2 2979/4885NR1H4 97/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 CTNNB1 1378/4885TCF7L2 2979/4885NR1H4 97/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 CTNNB1 824/4885TCF7L2 2940/4885NR1H4 491/4885

“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.