SCHEMBL14927113

SCHEMBL14927113

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

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 5/20 0.35
▸ PTGDR Q13258 2/20 0.35
▸ ACACB O00763 4/20 0.33
▸ ACACA Q13085 2/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ PTPRB P23467 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CTSA P10619 1/20 0.32
▸ RXRA P19793 2/20 0.32
▸ RXRB P28702 2/20 0.32
▸ HDAC3 O15379 2/20 0.32
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC2 Q92769 2/20 0.32
▸ HDAC10 Q969S8 2/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32

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
SCHEMBL14927104 0.98 MAPKAPK2 (0.35) MAPKAPK2PTGDRACACBACACANR1H4
SCHEMBL14927100 0.92 DHODH (0.35) MAPKAPK2ACACBACACANR1H4CYP1A2
SCHEMBL14927108 0.90 MAPKAPK2 (0.38) MAPKAPK2ACACBACACANR1H4CTSS
SCHEMBL12071571 0.89 KDM4E (0.41) MAPKAPK2PTGDRACACBACACACYP1A2
SCHEMBL14930631 0.88 KDM4E (0.39) MAPKAPK2PTGDRACACBACACACYP1A2
SCHEMBL12072754 0.81 KDM4E (0.41) MAPKAPK2ACACB
SCHEMBL14927019 0.81 CTSS (0.38) CTSSCTSKCTSARXRARXRB
SCHEMBL14927122 0.81 PTPRB (0.38) PTGDRACACBACACACTSSCTSK
SCHEMBL14927071 0.80 CTSS (0.37) CTSSCTSKCYP3A4CTSARXRA
SCHEMBL14927018 0.79 KIF11 (0.39) CTSSCTSKCTSARXRARXRB

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 MAPKAPK2 4557/4885PTGDR 2887/4885ACACB 4873/4885

“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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