SCHEMBL6540108

SCHEMBL6540108

COC(=O)C(CNC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.61
ITGA2B P08514 6/20 0.61
YAP1 P46937 1/20 0.50
KMT2A Q03164 1/20 0.49
HTT P42858 1/20 0.48
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTSK P43235 3/20 0.46
CTSL P07711 2/20 0.46
CTSS P25774 2/20 0.46
SYK P43405 1/20 0.46
ADORA3 P0DMS8 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
ADORA1 P30542 1/20 0.45
P2RX7 Q99572 2/20 0.45
GAA P10253 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL6539424 0.92 ITGB3 (0.70) ITGB3ITGA2BYAP1KMT2AHTT
SCHEMBL6935794 0.92 ITGB3 (0.70) ITGB3ITGA2BYAP1KMT2AHTT
SCHEMBL6943032 0.90 ITGB3 (0.56) ITGB3ITGA2BYAP1KMT2AHTT
SCHEMBL6936345 0.89 ITGB3 (0.72) ITGB3ITGA2BYAP1KMT2AHTT
SCHEMBL7496784 0.87 ITGB3 (0.61) ITGB3ITGA2BKMT2AHTTNPC1
SCHEMBL6936056 0.87 ITGB3 (0.69) ITGB3ITGA2BYAP1HTTP2RX7
SCHEMBL7496198 0.86 ITGB3 (0.66) ITGB3ITGA2BYAP1HTTNPC1
SCHEMBL25889247 0.85 YAP1 (0.52) ITGB3ITGA2BYAP1CTSKCTSL
SCHEMBL6540111 0.84 ITGB3 (0.52) ITGB3ITGA2BYAP1KMT2AHTT
SCHEMBL2999886 0.83 YAP1 (0.62) YAP1HTTNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 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 (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-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB ITGB3 423/4885ITGA2B 346/4885YAP1 3770/4885

“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.