SCHEMBL3935798

SCHEMBL3935798

CC(=O)N1C(=O)C(=C(O)c2ccoc2)c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.56
MAPT P10636 6/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
USP2 O75604 1/20 0.45
CASP1 P29466 1/20 0.45
BRCA1 P38398 1/20 0.45
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 3/20 0.38
GAA P10253 3/20 0.38
NOTUM Q6P988 2/20 0.36
CTRB1 P17538 1/20 0.36
LMNA P02545 2/20 0.35
CASP3 P42574 1/20 0.35
MCL1 Q07820 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL3935792 1.00 CES1 (0.56) CES1MAPTMEN1KMT2AUSP2
SCHEMBL4302825 0.85 CES1 (0.42) CES1MAPTMEN1KMT2AUSP2
SCHEMBL3941711 0.85 CES1 (0.48) CES1MAPTMEN1KMT2AUSP2
SCHEMBL3941713 0.85 CES1 (0.48) CES1MAPTMEN1KMT2AUSP2
SCHEMBL13781518 0.85 CES1 (0.42) CES1MAPTMEN1KMT2AUSP2
SCHEMBL4302821 0.85 CES1 (0.42) CES1MAPTMEN1KMT2AUSP2
SCHEMBL25681839 0.84 CES1 (0.63) CES1MAPTMEN1KMT2AUSP2
SCHEMBL6325992 0.84 CES1 (0.63) CES1MAPTMEN1KMT2AUSP2
SCHEMBL6325997 0.84 CES1 (0.63) CES1MAPTMEN1KMT2AUSP2
SCHEMBL8012190 0.78 CES1 (0.55) CES1MAPTMEN1KMT2AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551830-B1 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA (DE) 2009-04-08 EP disclosed
US-7148249-B2 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-12-12 US disclosed
EP-1551830-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-07-13 EP disclosed
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 US disclosed
WO-2004026829-A2 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-01 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 (1 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-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments CDK1, CDK2, CDK3 CES1 2057/4885MAPT 1798/4885MEN1 1664/4885

“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.