SCHEMBL226929

SCHEMBL226929

COC(=O)Cc1ccc(C(Nc2ccc(N(CC(=O)N(C)C)S(C)(=O)=O)cc2)=C2C(=O)Nc3cc(F)ccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
RAB9A P51151 2/20 0.36
POLB P06746 2/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
CHEK1 O14757 2/20 0.35
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
BACE1 P56817 1/20 0.34
MAPK1 P28482 2/20 0.33
MAPT P10636 2/20 0.33
PDGFRB P09619 1/20 0.33

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
SCHEMBL226928 1.00 ALDH1A1 (0.37) ALDH1A1NPC1SMN1; SMN2RAB9APOLB
SCHEMBL223610 0.92 ALDH1A1 (0.38) ALDH1A1NPC1SMN1; SMN2RAB9APOLB
SCHEMBL223611 0.92 ALDH1A1 (0.38) ALDH1A1NPC1SMN1; SMN2RAB9APOLB
SCHEMBL226805 0.92 TSHR (0.38) ALDH1A1NPC1SMN1; SMN2RAB9APOLB
SCHEMBL226806 0.92 TSHR (0.38) ALDH1A1NPC1SMN1; SMN2RAB9APOLB
SCHEMBL227063 0.90 CHEK1 (0.35) NPC1SMN1; SMN2RAB9APOLBKMT2A
SCHEMBL227062 0.90 CHEK1 (0.35) NPC1SMN1; SMN2RAB9APOLBKMT2A
SCHEMBL4492094 0.88 ALDH1A1 (0.41) ALDH1A1POLBKMT2AL3MBTL1TSHR
SCHEMBL4492093 0.88 ALDH1A1 (0.41) ALDH1A1POLBKMT2AL3MBTL1TSHR
SCHEMBL228366 0.88 ALDH1A1 (0.37) ALDH1A1NPC1SMN1; SMN2RAB9APOLB

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 ALDH1A1 106/4885NPC1 650/4885SMN1; SMN2 1867/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR ALDH1A1 3469/4885NPC1 4190/4885SMN1; SMN2 4443/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR ALDH1A1 2036/4885NPC1 3787/4885SMN1; SMN2 4006/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR ALDH1A1 3469/4885NPC1 4190/4885SMN1; SMN2 4443/4885
US-20140128409-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 ALDH1A1 106/4885NPC1 650/4885SMN1; SMN2 1867/4885
US-20120004202-A1 MEDICAMENTS FOR THE TREATMENT OR PREVENTION OF FIBROTIC DISEASES COL1A1, MMP1, FOXM1 ALDH1A1 106/4885NPC1 650/4885SMN1; SMN2 1867/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 ALDH1A1 2738/4885NPC1 4098/4885SMN1; SMN2 4461/4885

“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.