SCHEMBL6166269

SCHEMBL6166269

COc1cc(CN2C(=O)N(C(CC3CC3)C(=O)NC(C)CC(=O)O)C(=O)C2(C)C)ccc1NC(=O)Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 6/20 0.40
ITGA4 P13612 6/20 0.40
CHEK1 O14757 2/20 0.37
NTRK1 P04629 1/20 0.36
NTRK2 Q16620 1/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
RCE1 Q9Y256 1/20 0.35
CCKBR P32239 1/20 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
SCHEMBL6166262 1.00 ITGB1 (0.40) ITGB1ITGA4CHEK1NTRK1NTRK2
SCHEMBL4671581 0.93 ITGA4 (0.46) ITGB1ITGA4CHEK1MEN1MAPT
SCHEMBL4671585 0.93 ITGA4 (0.46) ITGB1ITGA4CHEK1MEN1MAPT
SCHEMBL6162555 0.92 ITGA4 (0.46) ITGB1ITGA4CHEK1MEN1MAPT
SCHEMBL6162561 0.92 ITGA4 (0.46) ITGB1ITGA4CHEK1MEN1MAPT
SCHEMBL6162542 0.92 ITGA4 (0.46) ITGB1ITGA4CHEK1MEN1MAPT
SCHEMBL6166332 0.92 ITGB1 (0.37) ITGB1ITGA4CHEK1NTRK1NTRK2
SCHEMBL6166340 0.92 ITGB1 (0.37) ITGB1ITGA4CHEK1NTRK1NTRK2
SCHEMBL6934178 0.90 CCKBR (0.37) ITGB1ITGA4NPC1TP53RAB9A
SCHEMBL6934172 0.90 CCKBR (0.37) ITGB1ITGA4NPC1TP53RAB9A

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-1373249-B1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTIINFLAMATORY AGENT AVENTIS PHARMA GMBH (DE) 2005-04-20 EP disclosed
US-6680333-B2 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; ANTIALLERGENS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-01-20 US disclosed
EP-1373249-A1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT Aventis Pharma Deutschland GmbH (DE) 2004-01-02 EP disclosed
US-20030073723-A1 Novel imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-04-17 US disclosed
WO-2002072573-A1 IMIDAZOLIDINE DERIVATIVES, THEIR PREPARATION, AND THEIR USE AS ANTINFLAMATORY AGENT. AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-09-19 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-20030073723-A1 Novel imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them VCAM1, ITGA4, ITGA1 ITGB1 10/4885ITGA4 2/4885CHEK1 4680/4885

“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.