SCHEMBL7768453

SCHEMBL7768453

CC(C)(C)S(=O)(=O)c1cnc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.51
CNR1 P21554 3/20 0.51
ALPL P05186 6/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
SLC22A12 Q96S37 1/20 0.47
SLC40A1 Q9NP59 1/20 0.47
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
MGAM O43451 1/20 0.44

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
SCHEMBL5983291 0.85 CA12 (0.49) CNR2CNR1ALPLKDM4EALDH1A1
SCHEMBL2377244 0.81 ALDH1A1 (0.54) CNR2CNR1ALPLKDM4EALDH1A1
SCHEMBL25511724 0.79 ALDH1A1 (0.55) CNR2CNR1KDM4EALDH1A1RAB9A
SCHEMBL8367483 0.78 RAB9A (0.52) CNR2CNR1ALPLKDM4EALDH1A1
SCHEMBL1771001 0.77 CA12 (0.51) CNR2CNR1ALPLKDM4EALDH1A1
SCHEMBL10296114 0.77 MGAM (0.51) CNR2CNR1ALPLKDM4EALDH1A1
SCHEMBL29927370 0.77 CA12 (0.69) CNR2ALPLKDM4EALDH1A1CYP1A2
SCHEMBL8788307 0.77 CA12 (0.69) CNR2ALPLKDM4EALDH1A1CYP1A2
SCHEMBL2377240 0.77 CA12 (0.51) CNR2ALPLKDM4EALDH1A1CYP1A2
SCHEMBL2201410 0.77 ALDH1A1 (0.50) CNR2CNR1ALPLKDM4EALDH1A1

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-8283357-B2 Cycloalkylcarbamate benzamide aniline HDAC inhibitor compounds GILEAD SCIENCES, INC. (US) 2012-10-09 US disclosed
US-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2010-12-09 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-20100311794-A1 CYCLOALKYLCARBAMATE BENZAMIDE ANILINE HDAC INHIBITOR COMPOUNDS HDAC1, HDAC5, HDAC3 CNR2 3177/4885CNR1 3461/4885ALPL 3386/4885

“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.