SCHEMBL3530979

SCHEMBL3530979

COC(=O)CCc1cccc(C(=O)O)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.54
CYP4A11 Q02928 2/20 0.54
FOLH1 Q04609 2/20 0.53
MRGPRX4 Q96LA9 8/20 0.52
TP53 P04637 2/20 0.52
PKM P14618 2/20 0.52
NFKB1 P19838 2/20 0.52
NFKB2 Q00653 2/20 0.52
RELA Q04206 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
RAB9A P51151 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
SIRT2 Q8IXJ6 1/20 0.50
MEP1B Q16820 4/20 0.49
MEP1A Q16819 2/20 0.49
AKR1C3 P42330 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL31455819 1.00 CYP4F2 (0.54) CYP4F2CYP4A11FOLH1MRGPRX4TP53
SCHEMBL27399582 0.87 CYP4F2 (0.54) CYP4F2CYP4A11RAB9ASIRT2ALDH1A1
SCHEMBL9715713 0.85 SIRT2 (0.49) CYP4F2CYP4A11RAB9ASIRT2ALDH1A1
SCHEMBL2571306 0.84 CYP4F2 (0.54) CYP4F2CYP4A11FOLH1MRGPRX4TP53
SCHEMBL31455578 0.84 CYP4F2 (0.54) CYP4F2CYP4A11FOLH1MRGPRX4TP53
SCHEMBL63816 0.84 SLC7A5 (0.52) CYP4F2CYP4A11MRGPRX4SMN1; SMN2RAB9A
SCHEMBL30489978 0.83 SLC7A5 (0.57) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL479999 0.83 SLC7A5 (0.57) FOLH1MRGPRX4TP53PKMNFKB1
SCHEMBL18045829 0.83 FOLH1 (0.49) CYP4F2CYP4A11FOLH1MRGPRX4TP53
SCHEMBL3930497 0.83 CYP4F2 (0.50) CYP4F2CYP4A11SMN1; SMN2RAB9ASIRT2

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 11 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
CN-1318403-C Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2007-05-30 CN 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
CN-1668589-A Indoline derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA (DE) 2005-09-14 CN 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 (4 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 1387/4885FOLH1 2948/4885
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 374/4885FOLH1 3813/4885
US-20050043389-A1 Indoline derivatives substituted in the 6 position, their preparation and their use as medicaments KDR, FLT1, EGFR CYP4F2 2233/4885CYP4A11 1387/4885FOLH1 2948/4885
US-20090197876-A1 INDOLINONE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, ERBB2 CYP4F2 2119/4885CYP4A11 1207/4885FOLH1 3066/4885

“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.