SCHEMBL22022379

SCHEMBL22022379

CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)C1CCCN1C(C)=O)C(=O)N[C@@H](CCCCN)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 13/20 0.53
▸ OPRK1 P41145 13/20 0.53
▸ CTSL P07711 3/20 0.53
▸ CTSS P25774 3/20 0.53
▸ CTSK P43235 3/20 0.53
▸ CTSH P09668 1/20 0.53
▸ CXCR4 P61073 1/20 0.48

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
SCHEMBL30504861 1.00 OPRM1 (0.53) OPRM1OPRK1CTSLCTSSCTSK
SCHEMBL30230017 0.95 OPRM1 (0.58) OPRM1OPRK1CTSLCTSSCTSK
SCHEMBL30229795 0.91 REN (0.54) OPRM1OPRK1CTSLCTSSCTSK
SCHEMBL30229695 0.90 REN (0.56) OPRM1OPRK1CTSLCTSSCTSK
SCHEMBL30229850 0.90 REN (0.56) OPRM1OPRK1CTSLCTSSCTSK
SCHEMBL16212659 0.89 C5AR1 (0.54) OPRM1OPRK1CTSLCTSSCTSK
SCHEMBL30504860 0.88 C5AR1 (0.52) OPRM1OPRK1CTSLCTSSCTSK
SCHEMBL30339782 0.87 CTSL (0.55) OPRM1OPRK1CTSLCTSSCTSK
SCHEMBL14921065 0.86 C5AR1 (0.49) OPRM1OPRK1CTSLCTSSCTSK
SCHEMBL30229960 0.86 CTSL (0.51) OPRM1OPRK1CTSLCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200155521-A1 PHARMACEUTICAL COMBINATION FOR TREATMENT OF CANCER ARQULE, INC. 2020-05-21 — — 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-20200155521-A1 PHARMACEUTICAL COMBINATION FOR TREATMENT OF CANCER TP53, KRAS, VHL OPRM1 4384/4885OPRK1 4090/4885CTSL 575/4885

“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.

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