SCHEMBL16450932

SCHEMBL16450932

C[C@@H]1CSSCN(NC(=O)[C@H](C)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSG P08311 2/20 0.54
▸ PLAU P00749 2/20 0.52
▸ MC4R P32245 10/20 0.50
▸ MC5R P33032 10/20 0.50
▸ MC3R P41968 10/20 0.50
▸ MC1R Q01726 10/20 0.50
▸ ITGB3 P05106 1/20 0.49
▸ ITGB1 P05556 1/20 0.49
▸ ITGAV P06756 1/20 0.49
▸ ITGA5 P08648 1/20 0.49
▸ ITGB5 P18084 1/20 0.49
▸ TSLP Q969D9 2/20 0.49
▸ CACNA1B Q00975 1/20 0.48
▸ ERBB2 P04626 1/20 0.47
▸ KLKB1 P03952 1/20 0.47

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
SCHEMBL15188725 0.82 ITGB3 (0.59) CTSGPLAUMC4RMC5RMC3R
SCHEMBL13319649 0.82 CTSG (0.69) CTSGPLAUTSLPKLKB1
SCHEMBL18407645 0.81 CTSG (0.49) CTSGPLAUMC4RMC5RMC3R
SCHEMBL20888358 0.79 ITGB3 (0.58) MC4RMC5RMC3RMC1RITGB3
SCHEMBL21766911 0.79 ITGB3 (0.58) MC4RMC5RMC3RMC1RITGB3
SCHEMBL19605458 0.79 ITGB3 (0.58) MC4RMC5RMC3RMC1RITGB3
SCHEMBL13485740 0.79 MC4R (0.58) CTSGPLAUMC4RMC5RMC3R
SCHEMBL25474210 0.78 MC4R (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL19605464 0.78 MC4R (0.55) MC4RMC5RMC3RMC1RITGB3
SCHEMBL13485731 0.78 MC4R (0.57) CTSGPLAUMC4RMC5RMC3R

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-9487556-B2 Polyconjugates for delivery of RNAi triggers to tumor cells in vivo Arrowhead Pharmaceuticals, Inc. (US) 2016-11-08 — — US disclosed
US-20150045573-A1 Polyconjugates for Delivery of RNAi triggers to Tumor Cells In Vivo Arrowhead Pharmaceuticals, Inc. 2015-02-12 — — 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-20150045573-A1 Polyconjugates for Delivery of RNAi triggers to Tumor Cells In Vivo PAM, PLAUR, M6PR CTSG 855/4885PLAU 65/4885MC4R 3035/4885

“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.

Send feedback