SCHEMBL7498602

SCHEMBL7498602

COC(=O)[C@H](CCCc1ccc(OC)c(OC)c1)NC(=O)[C@@H]1CCCN(C(=O)CCC2CCN(C(=O)OC(C)(C)C)CC2)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.49
ITGA2B P08514 9/20 0.49
F2R P25116 1/20 0.49
YAP1 P46937 1/20 0.42
KMT2A Q03164 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL7499589 0.89 ITGB3 (0.49) ITGB3ITGA2BF2RYAP1
SCHEMBL7500180 0.86 ITGB3 (0.48) ITGB3ITGA2BF2RYAP1
SCHEMBL7438635 0.86 ITGB3 (0.41) ITGB3ITGA2BYAP1KMT2AHTT
SCHEMBL7498595 0.86 ITGB3 (0.48) ITGB3ITGA2BF2RKMT2AHTT
SCHEMBL7498599 0.86 KMT2A (0.46) ITGB3ITGA2BF2RKMT2AHTT
SCHEMBL7500224 0.86 ITGB3 (0.53) ITGB3ITGA2BF2R
SCHEMBL7504291 0.84 ALDH1A1 (0.52) ITGB3ITGA2BF2RNPC1
SCHEMBL7500231 0.83 ITGB3 (0.45) ITGB3ITGA2BF2RKMT2AHTT
Hydrochloric Acid SCHEMBL7498646 0.82 ITGB3 (0.59) ITGB3ITGA2BF2R
SCHEMBL7446210 0.81 ITGB3 (0.60) ITGB3ITGA2BF2RKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380215-B1 FOR PREVENTION AND/OR TREATMENT OF DISEASES CAUSED BY THROMBUS FORMATION SUCH AS ARTERIAL THROMBOSIS, ARTERIAL SCLEROSIS, ISCHEMIC HEART DISEASES FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2002-04-30 US disclosed
US-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-13 US disclosed
EP-1106606-A2 N-(3-piperidinylcarbonyl)-beta-alanine derivatives as paf antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-13 EP disclosed
WO-1995008536-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-30 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-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof F13B, FGB, TGFB1 ITGB3 52/4885ITGA2B 14/4885F2R 234/4885

“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.