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Sugi Predict / Compounds / SCHEMBL1353022

SCHEMBL1353022

SCHEMBL1353022

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.48
▸ HTR6 P50406 1/20 0.48
▸ PTGER1 P34995 4/20 0.43
▸ CCR5 P51681 1/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ LMNA P02545 6/20 0.41
▸ HTT P42858 1/20 0.41
▸ CYP1A2 P05177 3/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ KEAP1 Q14145 1/20 0.38
▸ NFE2L2 Q16236 1/20 0.38

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
SCHEMBL4057724 0.92 LMNA (0.43) HTR7HTR6PTGER1ALDH1A1LMNA
SCHEMBL12856665 0.88 LMNA (0.40) HTR7HTR6PTGER1ALDH1A1LMNA
SCHEMBL12182024 0.88 CYSLTR2 (0.40) HTR7HTR6ALDH1A1RAB9ALMNA
SCHEMBL1614403 0.86 LMNA (0.40) HTR7HTR6ALDH1A1LMNAHTT
SCHEMBL723259 0.86 CCR5 (0.44) HTR7HTR6PTGER1CCR5ALDH1A1
SCHEMBL12403881 0.80 CCR5 (0.48) HTR7HTR6CCR5ALDH1A1RAB9A
SCHEMBL23209991 0.79 LMNA (0.48) PTGER1ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL4001032 0.79 ALDH1A1 (0.41) ALDH1A1LMNAHTTMAPTKDM4E
SCHEMBL23210311 0.78 LMNA (0.44) PTGER1ALDH1A1LMNACYP1A2CYP2C9
SCHEMBL11259445 0.78 AR (0.48) ALDH1A1LMNACYP1A2CYP2C9CYP2C19

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422228-B2 Process for the preparation of optically pure fesoterodine derivatives CRYSTAL PHARMA, S.A.U. (ES) 2016-08-23 — — US disclosed
US-9422228-B2 Process for the preparation of optically pure fesoterodine derivatives CRYSTAL PHARMA, S.A.U. (ES) 2016-08-23 — — US disclosed
US-20150094485-A1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE FESOTERODINE DERIVATIVES CURIA SPAIN, S.A.U. (ES) 2015-04-02 — — US disclosed
US-20150094485-A1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE FESOTERODINE DERIVATIVES CURIA SPAIN, S.A.U. (ES) 2015-04-02 — — US disclosed
US-8722920-B2 Process for obtaining 3, 3-diphenylpropylamines CRYSTAL PHARMA S.A.U. (ES) 2014-05-13 — — US disclosed
US-8722920-B2 Process for obtaining 3, 3-diphenylpropylamines CRYSTAL PHARMA S.A.U. (ES) 2014-05-13 — — US disclosed
WO-2013113946-A2 PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE 3,3-DIPHENYLPROPYLAMINES CRYSTAL PHARMA, S.A.U. (ES) 2013-08-08 — — WO disclosed
US-8338478-B2 Derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2012-12-25 — — US disclosed
US-8338478-B2 Derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2012-12-25 — — US disclosed
US-8338478-B2 Derivatives of 3,3-diphenylpropylamines UCB PHARMA GMBH (DE) 2012-12-25 — — US disclosed
CN-1690041-A Novel derivatives of 3,3-diphenylpropylamines SANOL ARZNEI SCHWARZ GMBH (DE) 2005-11-02 — — CN disclosed
CN-1207268-C 3, 3-diphenylpropylamine derivatives SANOL ARZNEI SCHWARZ GMBH (DE) 2005-06-22 — — CN disclosed
US-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG 2004-09-23 — — US disclosed
US-6713464-B1 ANTIMUSCARINIC AGENTS WITH SUPERIOR PHARMACOKINETICS SCHWARZ PHARMA AG (DE) 2004-03-30 — — US disclosed
EP-1254890-A1 Derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 2002-11-06 — — EP disclosed
EP-1077912-B1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SANOL ARZNEI SCHWARZ GMBH (DE) 2002-07-03 — — EP disclosed
CN-1354737-A Novel 3, 3-diphenylpropylamine derivatives SANOL ARZNEI SCHWARZ GMBH (DE) 2002-06-19 — — CN disclosed
EP-1077912-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 2001-02-28 — — EP disclosed
WO-1999058478-A1 NOVEL DERIVATIVES OF 3,3-DIPHENYLPROPYLAMINES SCHWARZ PHARMA AG (DE) 1999-11-18 — — WO disclosed
EP-0957073-A1 Novel derivatives of 3,3-diphenylpropylamines SCHWARZ PHARMA AG (DE) 1999-11-17 — — EP 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-20040186061-A1 Novel derivatives of 3,3-diphenylpropylamines ADRB3, ADRA1D, TNNC1 HTR7 38/4885HTR6 43/4885PTGER1 361/4885
US-20150094485-A1 PROCESS FOR THE PREPARATION OF OPTICALLY PURE FESOTERODINE DERIVATIVES ADH1C, NISCH, ADH1A HTR7 251/4885HTR6 1082/4885PTGER1 2269/4885

“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.