SCHEMBL3529558

SCHEMBL3529558

CCOC(=O)CCc1ccc(/C(OC)=C2\C(=O)N(C(C)=O)c3cc(F)ccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
EPHX2 P34913 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
CYP4Z1 Q86W10 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
FFAR4 Q5NUL3 4/20 0.35
MAPK1 P28482 3/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 3/20 0.34
FFAR1 O14842 2/20 0.34
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL3529559 1.00 CYP4F2 (0.40) CYP4F2CYP4A11EPHX2GPBAR1CYP4Z1
SCHEMBL3530432 0.92 CYP11B1 (0.36) FFAR4GAAL3MBTL1FFAR1
SCHEMBL3530435 0.92 CYP11B1 (0.36) FFAR4GAAL3MBTL1FFAR1
SCHEMBL5522568 0.92 CYP4F2 (0.39) CYP4F2CYP4A11EPHX2GPBAR1CYP4Z1
SCHEMBL3527918 0.90 GPBAR1 (0.37) CYP4F2CYP4A11GPBAR1PDE3BPDE3A
SCHEMBL3527916 0.90 GPBAR1 (0.37) CYP4F2CYP4A11GPBAR1PDE3BPDE3A
SCHEMBL1943744 0.89 CYP4F2 (0.41) CYP4F2CYP4A11EPHX2GPBAR1CYP4Z1
SCHEMBL1943746 0.89 CYP4F2 (0.41) CYP4F2CYP4A11EPHX2GPBAR1CYP4Z1
SCHEMBL3530969 0.87 BRD4 (0.37) PDE3BPDE3AP2RY12LMNAL3MBTL1
SCHEMBL3530967 0.87 BRD4 (0.37) PDE3BPDE3AP2RY12LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1523473-B1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2013-02-27 EP 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
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
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 WO 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 (3 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-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR CYP4F2 2233/4885CYP4A11 1387/4885EPHX2 3853/4885
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR CYP4F2 774/4885CYP4A11 374/4885EPHX2 2278/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 CYP4F2 2119/4885CYP4A11 1207/4885EPHX2 3648/4885

“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.