SCHEMBL14443028

SCHEMBL14443028

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.56
▸ ALDH1A1 P00352 1/20 0.54
▸ CXCR1 P25024 3/20 0.53
▸ CXCR2 P25025 3/20 0.53
▸ KDM4E B2RXH2 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ RECQL P46063 1/20 0.47
▸ CNR2 P34972 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ PTGS1 P23219 2/20 0.42
▸ PTGS2 P35354 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALB P02768 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ ALOX5 P09917 1/20 0.42
▸ RARB P10826 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ADRB3 P13945 1/20 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
SCHEMBL14318504 0.83 CA12 (0.59) ALDH1A1CXCR1CXCR2
SCHEMBL14318502 0.82 CYP19A1 (0.47) KMT2AALDH1A1CXCR1CXCR2KDM4E
SCHEMBL12522061 0.81 KMT2A (0.56) KMT2AALDH1A1KDM4EPOLBTSHR
SCHEMBL552190 0.80 KMT2A (0.59) KMT2AALDH1A1KDM4EPOLBTSHR
SCHEMBL25018210 0.79 ADRB2 (0.52) KMT2AALDH1A1KDM4EPOLBTSHR
SCHEMBL14852 0.78 KMT2A (0.61) KMT2AALDH1A1KDM4EPOLBTSHR
SCHEMBL3605081 0.78 KMT2A (0.61) KMT2AALDH1A1KDM4EPOLBTSHR
SCHEMBL4491485 0.78 KMT2A (0.61) KMT2AKDM4EPOLBTSHRRECQL
SCHEMBL5606910 0.76 KMT2A (0.59) KMT2AALDH1A1KDM4EPOLBTSHR
SCHEMBL5307276 0.76 KMT2A (0.59) KMT2AALDH1A1KDM4EPOLBTSHR

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
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 — — 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-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 KMT2A 2078/4885ALDH1A1 1216/4885CXCR1 1898/4885
US-20140107157-A1 PYRAZOLE DERIVATIVES AS CANNABINOID RECEPTOR 1 ANTAGONISTS CNR1, CNR2, GPR119 KMT2A 4409/4885ALDH1A1 2024/4885CXCR1 566/4885

“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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