SCHEMBL14318504

SCHEMBL14318504

CC(C)Cc1ccc(CNS(N)(=O)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.59
▸ CA1 P00915 4/20 0.59
▸ CA2 P00918 4/20 0.59
▸ CA9 Q16790 3/20 0.59
▸ CA7 P43166 1/20 0.58
▸ CA14 Q9ULX7 1/20 0.58
▸ ALDH1A1 P00352 1/20 0.53
▸ CXCR1 P25024 3/20 0.44
▸ CXCR2 P25025 3/20 0.44
▸ CA4 P22748 2/20 0.43
▸ EPHX1 P07099 1/20 0.43
▸ KIF11 P52732 1/20 0.43
▸ ENPP1 P22413 2/20 0.42

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
SCHEMBL14443028 0.83 KMT2A (0.56) ALDH1A1CXCR1CXCR2
SCHEMBL14318501 0.83 CA2 (0.56) CA12CA1CA2CA9CA7
SCHEMBL16479548 0.79 CA2 (0.66) CA12CA1CA2CA9CA7
SCHEMBL1870820 0.79 CA1 (0.66) CA12CA1CA2CA9CA7
SCHEMBL27565494 0.76 CA2 (0.68) CA12CA1CA2CA9CA7
SCHEMBL14380626 0.75 MEN1 (0.70) CA12CA1CA2CA9CA7
SCHEMBL688459 0.75 CA1 (0.54) CA12CA1CA2CA9ALDH1A1
SCHEMBL14380636 0.75 CA2 (0.66) CA12CA1CA2CA9CA7
SCHEMBL3092073 0.75 CA2 (0.61) CA12CA1CA2CA9CA7
SCHEMBL6552067 0.74 CA1 (0.70) CA12CA1CA2CA9CA7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133128-B2 Pyrazole derivatives as cannabinoid receptor 1 antagonists RESEARCH TRIANGLE INSTITUTE (US) 2015-09-15 — — US disclosed
US-20140107157-A1 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2014-04-17 — — US disclosed
WO-2012174362-A1 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS RESEARCH TRIANGLE INSTITUTE (US) 2012-12-20 — — WO 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-20140107157-A1 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS CNR1, CNR2, GPR119 CA12 4795/4885CA1 4738/4885CA2 3861/4885

“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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