SCHEMBL21164375

SCHEMBL21164375

CC(C)(C)OC(=O)NN[C@H](Cc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.53
CTSL P07711 2/20 0.53
CTSB P07858 2/20 0.53
CTSK P43235 2/20 0.53
SYK P43405 1/20 0.52
ACE P12821 1/20 0.51
MAPT P10636 2/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
KLK5 Q9Y337 1/20 0.50
PPARA Q07869 1/20 0.49
ATM Q13315 1/20 0.49
TACR1 P25103 1/20 0.49
KDM4E B2RXH2 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ITGA4 P13612 1/20 0.48
ITGB7 P26010 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
SCHEMBL22326365 0.90 POLB (0.57) CTSSCTSLCTSBCTSKSYK
SCHEMBL22404737 0.88 CTSS (0.64) CTSSCTSLCTSBCTSKSYK
SCHEMBL85543 0.88 CTSS (0.64) CTSSCTSLCTSBCTSKSYK
SCHEMBL3355326 0.88 CTSS (0.64) CTSSCTSLCTSBCTSKSYK
SCHEMBL2721558 0.88 ACE (0.60) CTSSCTSLCTSBCTSKACE
SCHEMBL1691095 0.88 ACE (0.60) CTSSCTSLCTSBCTSKACE
SCHEMBL29750416 0.87 CTSS (0.60) CTSSCTSLCTSBCTSKACE
SCHEMBL16168814 0.85 SYK (0.48) CTSSCTSLCTSBCTSKSYK
SCHEMBL5887477 0.84 CTSS (0.62) CTSSCTSLCTSBCTSKACE
SCHEMBL3439255 0.84 CTSS (0.62) CTSSCTSLCTSBCTSKACE

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-10730913-B1 Antimicrobial analogues of gramicidin S UNIVERSITY OF SOUTH FLORIDA (US) 2020-08-04 US disclosed
US-10351602-B1 Antimicrobial analogues of gramicidin S UNIVERSITY OF SOUTH FLORIDA (US) 2019-07-16 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-10730913-B1 Antimicrobial analogues of gramicidin S GMPS, AAAS, GNPDA1 CTSS 405/4885CTSL 101/4885CTSB 396/4885
US-10351602-B1 Antimicrobial analogues of gramicidin S GMPS, AAAS, GNPDA1 CTSS 405/4885CTSL 101/4885CTSB 396/4885

“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.