SCHEMBL4057724

SCHEMBL4057724

Cc1ccc(S(=O)(=O)OCCC(c2ccccc2)c2cc(C)ccc2OCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.43
MAPT P10636 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP19A1 P11511 1/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
AR P10275 1/20 0.40
PTGER1 P34995 2/20 0.40
PTGER4 P35408 2/20 0.40
PTGER3 P43115 2/20 0.40
PTGER2 P43116 2/20 0.40
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL1353022 0.92 HTR7 (0.48) LMNAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL12856665 0.92 LMNA (0.40) LMNAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4001032 0.87 ALDH1A1 (0.41) LMNAMAPTALDH1A1KDM4EHPGD
SCHEMBL4881596 0.83 MAPT (0.42) LMNAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL23209991 0.82 LMNA (0.48) LMNAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL11259445 0.81 AR (0.48) LMNAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL23210311 0.81 LMNA (0.44) LMNAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL4002446 0.81 CHRM2 (0.59) LMNAMAPTALDH1A1HPGDCHRM2
SCHEMBL13219204 0.81 SGMS2 (0.43) LMNAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL580390 0.80 CHRM2 (0.40) LMNAMAPTPTGER1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1701932-B1 TOLTERODINE, COMPOSITIONS AND USES THEREOF, AND PREPARATION OF THE SAME CIPLA LTD (IN) 2012-07-18 EP disclosed
US-20110282094-A1 PROCESS FOR PREPARATION OF PHENOLIC MONOESTERS OF HYDROXYMETHYL PHENOLS INTAS PHARMACEUTICALS LIMITED (IN) 2011-11-17 US disclosed
US-7538249-B2 Tolterodine, compositions and uses thereof, and preparation of the same CIPLA LIMITED (IN) 2009-05-26 US disclosed
US-20080146844-A1 PROCESS FOR PREPARING TOLTERODINE DR. REDDY'S LABORATORIES LIMITED (IN) 2008-06-19 US disclosed
US-20080146844-A1 PROCESS FOR PREPARING TOLTERODINE DR. REDDY'S LABORATORIES LIMITED (IN) 2008-06-19 US disclosed
US-7355077-B2 Process for preparing tolterodine DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-08 US disclosed
US-7355077-B2 Process for preparing tolterodine DR. REDDY'S LABORATORIES LIMITED (IN) 2008-04-08 US disclosed
US-20070142479-A1 Tolterodine, compositions and uses thereof, and preparation of the same CIPLA LIMITED (IN) 2007-06-21 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 (3 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-20080146844-A1 PROCESS FOR PREPARING TOLTERODINE ADRA2B, ADRB3, ADRB1 LMNA 2404/4885MAPT 1943/4885CYP1A2 141/4885
US-20110282094-A1 PROCESS FOR PREPARATION OF PHENOLIC MONOESTERS OF HYDROXYMETHYL PHENOLS HPD, COMT, PNMT LMNA 2384/4885MAPT 1212/4885CYP1A2 33/4885
US-20070142479-A1 Tolterodine, compositions and uses thereof, and preparation of the same ADRB3, ADRB2, ADRB1 LMNA 2746/4885MAPT 506/4885CYP1A2 152/4885

“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.