SCHEMBL13138425

SCHEMBL13138425

CCC(C)=CCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.53
▸ TACR1 P25103 2/20 0.53
▸ CTSL P07711 4/20 0.51
▸ MAPT P10636 2/20 0.51
▸ CTSS P25774 1/20 0.51
▸ CTSK P43235 1/20 0.51
▸ TP53 P04637 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ CCKBR P32239 4/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ HDAC9 Q9UKV0 1/20 0.46
▸ HDAC5 Q9UQL6 1/20 0.46

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
SCHEMBL5424818 0.92 REN (0.51) RENTACR1CTSLMAPTCTSS
SCHEMBL5424813 0.92 REN (0.51) RENTACR1CTSLMAPTCTSS
SCHEMBL13138423 0.90 REN (0.55) RENTACR1CTSLMAPTCTSS
SCHEMBL13138388 0.87 TACR1 (0.62) RENTACR1CTSLMAPTCTSS
SCHEMBL13138385 0.87 REN (0.56) RENTACR1CTSLMAPTCTSS
SCHEMBL5425366 0.86 REN (0.51) RENTACR1CTSLMAPTCTSS
SCHEMBL5425362 0.86 REN (0.51) RENTACR1CTSLMAPTCTSS
SCHEMBL13163790 0.85 REN (0.51) RENTACR1CTSLMAPTCTSS
SCHEMBL12555965 0.83 TACR1 (0.67) RENTACR1CTSLMAPTCTSS
SCHEMBL29419173 0.83 TACR1 (0.67) RENTACR1CTSLMAPTCTSS

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 REN 3877/4885TACR1 816/4885CTSL 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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