SCHEMBL5418302

SCHEMBL5418302

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 4/20 0.48
▸ TACR1 P25103 2/20 0.48
▸ CTSL P07711 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ CTSS P25774 1/20 0.46
▸ CTSK P43235 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HDAC3 O15379 4/20 0.43
▸ HDAC4 P56524 4/20 0.43
▸ HDAC1 Q13547 4/20 0.43
▸ HDAC7 Q8WUI4 4/20 0.43
▸ HDAC2 Q92769 4/20 0.43
▸ HDAC10 Q969S8 4/20 0.43
▸ HDAC11 Q96DB2 4/20 0.43
▸ HDAC8 Q9BY41 4/20 0.43
▸ HDAC6 Q9UBN7 4/20 0.43
▸ HDAC9 Q9UKV0 4/20 0.43
▸ HDAC5 Q9UQL6 4/20 0.43
▸ CCKBR P32239 3/20 0.43

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
SCHEMBL5418305 1.00 REN (0.48) RENTACR1CTSLMAPTTP53
SCHEMBL13138423 0.87 REN (0.55) RENTACR1CTSLMAPTTP53
SCHEMBL5425366 0.83 REN (0.51) RENTACR1CTSLMAPTTP53
SCHEMBL5425362 0.83 REN (0.51) RENTACR1CTSLMAPTTP53
SCHEMBL13138425 0.82 REN (0.53) RENTACR1CTSLMAPTTP53
SCHEMBL13138388 0.82 TACR1 (0.62) RENTACR1CTSLMAPTTP53
SCHEMBL13138385 0.80 REN (0.56) RENTACR1CTSLMAPTTP53
SCHEMBL5424818 0.80 REN (0.51) RENTACR1CTSLMAPTTP53
SCHEMBL5424813 0.80 REN (0.51) RENTACR1CTSLMAPTTP53
SCHEMBL12555965 0.79 TACR1 (0.67) RENTACR1CTSLMAPTTP53

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-20100222546-A1 METHODS FOR THE PREPARATION OF FUNCTIONALIZED PEPTIDES, PROTEINS AND CARBOHYDRATES AND THEIR CONJUGATES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-09-02 — — US disclosed
US-20070260041-A1 Allylic disulfide rearrangement and desulfurization method for the preparation of allylic sulfides ILLINOIS, THE BOARD OF TRUSTEES OF THE UNIVERSITY OF 2007-11-08 — — 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 (2 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-20070260041-A1 Allylic disulfide rearrangement and desulfurization method for the preparation of allylic sulfides TST, STS, SULT1A1 REN 2540/4885TACR1 872/4885CTSL 4819/4885
US-20100222546-A1 METHODS FOR THE PREPARATION OF FUNCTIONALIZED PEPTIDES, PROTEINS AND CARBOHYDRATES AND THEIR CONJUGATES PTMS, STT3A, GCG REN 896/4885TACR1 1663/4885CTSL 709/4885

“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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