SCHEMBL14927122

SCHEMBL14927122

Cc1cc2cc(-c3cccc(C(C)(C)C)c3)nc(CNC(NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c2cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPRB P23467 1/20 0.38
▸ PTGDR Q13258 2/20 0.36
▸ TRPV3 Q8NET8 1/20 0.34
▸ CTSA P10619 2/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ CTSS P25774 4/20 0.33
▸ CTSK P43235 4/20 0.33
▸ ACACB O00763 3/20 0.33
▸ HDAC3 O15379 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC10 Q969S8 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ CTSB P07858 2/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ ACACA Q13085 1/20 0.33
▸ PPARG P37231 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL12070730 0.89 KDM4E (0.40) PTPRBPTGDRTRPV3CTSACTSS
SCHEMBL14916981 0.81 KDM4E (0.42) PTGDRCTSARXRARXRBMAPT
SCHEMBL14927113 0.81 MAPKAPK2 (0.35) PTPRBPTGDRCTSARXRARXRB
SCHEMBL14927104 0.79 MAPKAPK2 (0.35) PTPRBPTGDRCTSARXRARXRB
SCHEMBL14927111 0.76 CTSK (0.42) PTGDRTRPV3CTSARXRARXRB
SCHEMBL14927120 0.75 CTSS (0.36) PTGDRTRPV3RXRARXRBCTSS
SCHEMBL14927103 0.74 KIF11 (0.40) PTGDRTRPV3CTSARXRARXRB
SCHEMBL14927119 0.73 CTSS (0.42) CTSARXRARXRBCTSSCTSK
SCHEMBL14927100 0.73 DHODH (0.35) ACACBACACA
SCHEMBL14927109 0.70 KIF11 (0.45) RXRARXRBCTSSCTSKMAPT

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-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 — — US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 — — 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 PTPRB 2158/4885PTGDR 2887/4885TRPV3 3292/4885

“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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