SCHEMBL13138388

SCHEMBL13138388

COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](CSC)NC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.62
▸ REN P00797 4/20 0.61
▸ CTSL P07711 2/20 0.59
▸ CTSS P25774 1/20 0.59
▸ CTSK P43235 1/20 0.59
▸ MAPT P10636 2/20 0.59
▸ TP53 P04637 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.55
▸ CCKBR P32239 5/20 0.54
▸ ACE P12821 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ HCRTR1 O43613 1/20 0.52
▸ KMT2A Q03164 1/20 0.52

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
SCHEMBL12555965 0.91 TACR1 (0.67) TACR1RENCTSLCTSSCTSK
SCHEMBL29419173 0.91 TACR1 (0.67) TACR1RENCTSLCTSSCTSK
SCHEMBL13138421 0.90 TACR1 (0.63) TACR1RENCTSLCTSSCTSK
SCHEMBL13138384 0.90 TACR1 (0.63) TACR1RENCTSLCTSSCTSK
SCHEMBL13138385 0.90 REN (0.56) TACR1RENCTSLCTSSCTSK
SCHEMBL30678217 0.89 TACR1 (0.72) TACR1RENCTSLCTSSCTSK
SCHEMBL30678210 0.89 TACR1 (0.72) TACR1RENCTSLCTSSCTSK
SCHEMBL20829903 0.89 TACR1 (0.72) TACR1RENCTSLCTSSCTSK
SCHEMBL27871522 0.89 TACR1 (0.72) TACR1RENCTSLCTSSCTSK
SCHEMBL13138423 0.88 REN (0.55) TACR1RENCTSLCTSSCTSK

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-20100222549-A1 DECHALCOGENATIVE METHODS FOR THE PREPARATION OF ALLYLIC SULFIDES NIH-DEITR 2010-09-02 — — 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-20100222549-A1 DECHALCOGENATIVE METHODS FOR THE PREPARATION OF ALLYLIC SULFIDES TST, SCLY, AP2S1 TACR1 816/4885REN 3877/4885CTSL 4308/4885

“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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