SCHEMBL6538573

SCHEMBL6538573

COC(=O)c1ccc(C(=O)NC(CNC(=O)[C@@H]2CCCN(C(=O)CCC3CCN(C(=O)OC(C)(C)C)CC3)C2)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 15/20 0.54
ITGA2B P08514 15/20 0.54
F2R P25116 8/20 0.47
KDM4E B2RXH2 1/20 0.45
PKM P14618 1/20 0.45
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
KMT2A Q03164 1/20 0.41
ACKR3 P25106 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
SCHEMBL7818397 0.94 ITGB3 (0.59) ITGB3ITGA2BF2RKDM4EPKM
SCHEMBL6539260 0.88 ITGB3 (0.69) ITGB3ITGA2BF2R
SCHEMBL7498836 0.87 ITGB3 (0.54) ITGB3ITGA2BF2RKDM4EPKM
SCHEMBL6538574 0.87 ITGB3 (0.51) ITGB3ITGA2BF2R
SCHEMBL6936430 0.86 ITGB3 (0.55) ITGB3ITGA2BF2R
SCHEMBL6937901 0.86 ITGB3 (0.55) ITGB3ITGA2BF2R
SCHEMBL6539773 0.84 ITGB3 (0.53) ITGB3ITGA2BF2R
SCHEMBL7440093 0.83 KDM4E (0.56) ITGB3ITGA2BF2RKDM4EPKM
SCHEMBL6538603 0.82 ITGB3 (0.65) ITGB3ITGA2BF2R
SCHEMBL7500193 0.82 ITGB3 (0.65) ITGB3ITGA2BF2R

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 346/4885F2R 1250/4885

“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.