SCHEMBL226536

SCHEMBL226536

CN(C)CC(=O)N(C)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc(CCC(=O)O)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.35
NR1H4 Q96RI1 1/20 0.35
CNR1 P21554 1/20 0.34
ZAP70 P43403 1/20 0.34
PLK1 P53350 3/20 0.33
PPARG P37231 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ADCY6 O43306 1/20 0.32
ADCY3 O60266 1/20 0.32
ADCY9 O60503 1/20 0.32
ADCY5 O95622 1/20 0.32
ADCY8 P40145 1/20 0.32
GCGR P47871 1/20 0.32
ADCY7 P51828 1/20 0.32
ADCY2 Q08462 1/20 0.32
ADCY1 Q08828 1/20 0.32
ADCY4 Q8NFM4 1/20 0.32
CSF1R P07333 1/20 0.32
FFAR4 Q5NUL3 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
SCHEMBL226535 1.00 FFAR1 (0.35) FFAR1NR1H4CNR1ZAP70PLK1
SCHEMBL223538 0.93 PLK1 (0.34) FFAR1NR1H4CNR1ZAP70PLK1
SCHEMBL223539 0.93 PLK1 (0.34) FFAR1NR1H4CNR1ZAP70PLK1
SCHEMBL225456 0.93 PLK1 (0.34) FFAR1NR1H4CNR1ZAP70PLK1
SCHEMBL225455 0.93 PLK1 (0.34) FFAR1NR1H4CNR1ZAP70PLK1
SCHEMBL223535 0.92 PLK1 (0.37) FFAR1NR1H4CNR1ZAP70PLK1
SCHEMBL223536 0.92 PLK1 (0.37) FFAR1NR1H4CNR1ZAP70PLK1
SCHEMBL4485975 0.92 KDM4E (0.37) NR1H4CSF1R
SCHEMBL4485968 0.92 KDM4E (0.37) NR1H4CSF1R
SCHEMBL223724 0.91 PLK1 (0.38) FFAR1CNR1ZAP70PLK1PPARG

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 13 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
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
EP-1835907-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES Boehringer Ingelheim International GmbH (DE) 2007-09-26 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-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
WO-2006067175-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-06-29 WO 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 FFAR1 1856/4885NR1H4 97/4885CNR1 342/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR FFAR1 1282/4885NR1H4 563/4885CNR1 241/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR FFAR1 778/4885NR1H4 544/4885CNR1 487/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR FFAR1 1282/4885NR1H4 563/4885CNR1 241/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 FFAR1 1856/4885NR1H4 97/4885CNR1 342/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 FFAR1 1856/4885NR1H4 97/4885CNR1 342/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 FFAR1 1317/4885NR1H4 491/4885CNR1 296/4885

“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.