SCHEMBL19367902

SCHEMBL19367902

CC(=N)NCCCC1NC(=O)CCc2cccc3c2oc2c(cccc23)CCNC(=O)C(CCCNC(=N)N)NC(=O)CC(c2cccc3ccccc23)NC(=O)C(Cc2ccccc2)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(Cc2ccccc2)NC(=O)CC(c2cccc3ccccc23)NC1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD2 P06729 1/20 0.53
CD58 P19256 1/20 0.53
ERBB2 P04626 1/20 0.50
MC4R P32245 10/20 0.45
MC5R P33032 10/20 0.45
MC3R P41968 10/20 0.45
MC1R Q01726 10/20 0.45
ITGB3 P05106 4/20 0.42
ITGB1 P05556 3/20 0.42
ITGAV P06756 3/20 0.42
ITGA5 P08648 3/20 0.42
ITGA2B P08514 2/20 0.42
FURIN P09958 1/20 0.40
TSLP Q969D9 2/20 0.39
CTSD P07339 1/20 0.39

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
SCHEMBL19375812 0.97 CD2 (0.54) CD2CD58ERBB2MC4RMC5R
SCHEMBL19367903 0.92 ERBB2 (0.60) CD2CD58ERBB2ITGB3ITGB1
SCHEMBL19375731 0.89 ERBB2 (0.61) CD2CD58ERBB2ITGB3ITGB1
SCHEMBL19367901 0.80 ERBB2 (0.70) ERBB2ITGB3ITGB1ITGAVITGA5
SCHEMBL21766911 0.73 ITGB3 (0.58) MC4RMC5RMC3RMC1RITGB3
SCHEMBL20888358 0.73 ITGB3 (0.58) MC4RMC5RMC3RMC1RITGB3
SCHEMBL19605458 0.73 ITGB3 (0.58) MC4RMC5RMC3RMC1RITGB3
SCHEMBL22970320 0.72 ITGB3 (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL12148757 0.72 ITGB3 (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL24016804 0.72 ITGB3 (0.53) MC4RMC5RMC3RMC1RITGB3

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-9963486-B2 Peptidomimetics for treating HER2-overexpressed cancer Board of Supervisors for the University of Louisiana System (US) 2018-05-08 US disclosed
US-20170267725-A1 Peptidomimetics for Treating HER2-Overexpressed Cancer Board of Supervisors for the University of Louisiana System (US) 2017-09-21 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-20170267725-A1 Peptidomimetics for Treating HER2-Overexpressed Cancer ERBB2, EGFR, ERBB3 CD2 3672/4885CD58 3079/4885ERBB2 1/4885

“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.