SCHEMBL2292876

SCHEMBL2292876

Cc1ccc(S(=O)(=O)Oc2ccc([C@H]3CN(C(=O)OC(C)Cl)CCO3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ENPP3 O14638 3/20 0.39
ENPP1 P22413 3/20 0.39
ENPP2 Q13822 3/20 0.39
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
PPARG P37231 1/20 0.36
ALOX5 P09917 1/20 0.35

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
SCHEMBL2294862 1.00 CYP2C9 (0.40) CYP2C9CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL2297261 0.91 USP30 (0.39) ALDH1A1ENPP3ENPP1ENPP2
SCHEMBL2298269 0.91 USP30 (0.39) ALDH1A1ENPP3ENPP1ENPP2
SCHEMBL2293182 0.88 ENPP3 (0.44) CYP2C9CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL2294412 0.88 ENPP3 (0.44) CYP2C9CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL2296164 0.87 KMT2A (0.44) CYP2C9CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL2295739 0.87 KMT2A (0.44) CYP2C9CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL3374352 0.86 ALDH1A1 (0.43) CYP2C9CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL3372092 0.86 ALDH1A1 (0.43) CYP2C9CYP2C19ALDH1A1CYP3A4CYP2D6
SCHEMBL2297496 0.86 MOGAT2 (0.37) ALDH1A1ENPP3ENPP1SMN1; SMN2PPARG

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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-20 US disclosed
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF SANOFI-AVENTIS (FR) 2011-10-13 US disclosed
US-7994315-B2 Intermediate compound for synthesizing pharmaceutical agent and production method thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-09 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 (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-20110257392-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 CYP2C9 1988/4885CYP2C19 1737/4885ALDH1A1 1251/4885
US-20110251385-A1 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MAPT, PSEN1, PSEN2 CYP2C9 1988/4885CYP2C19 1737/4885ALDH1A1 1251/4885

“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.