SCHEMBL3182766

SCHEMBL3182766

O=S(=O)(O)c1ccc(Cl)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 5/20 0.54
▸ CYP2A6 P11509 2/20 0.54
▸ POLB P06746 1/20 0.51
▸ FABP4 P15090 1/20 0.51
▸ TTR P02766 1/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49
▸ WDR5 P61964 1/20 0.47
▸ ATM Q13315 1/20 0.46
▸ CTRB1 P17538 1/20 0.45
▸ COMT P21964 1/20 0.43
▸ AURKA O14965 1/20 0.43
▸ AURKB Q96GD4 1/20 0.43
▸ LDHA P00338 1/20 0.42
▸ TNNI3 P19429 1/20 0.41
▸ TNNT2 P45379 1/20 0.41
▸ TNNC1 P63316 1/20 0.41
▸ HKDC1 Q2TB90 1/20 0.41

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
SCHEMBL3057460 0.88 TTR (0.60) CYP1A2CYP2A6TTRKMT2AALDH1A1
SCHEMBL703189 0.87 TTR (0.61) CYP1A2TTRKMT2AALDH1A1MEN1
SCHEMBL29409575 0.87 TTR (0.61) CYP1A2TTRKMT2AALDH1A1MEN1
Hydrochloric Acid SCHEMBL28234846 0.86 TTR (0.58) CYP1A2CYP2A6TTRKMT2AALDH1A1
Hydrochloric Acid SCHEMBL11157253 0.84 TTR (0.59) CYP1A2TTRKMT2AALDH1A1MEN1
SCHEMBL7710380 0.84 TTR (0.59) CYP1A2TTRKMT2AALDH1A1MEN1
SCHEMBL10925668 0.83 CYP1A2 (0.59) CYP1A2CYP2A6POLBFABP4KMT2A
SCHEMBL639819 0.81 CYP1A2 (0.56) CYP1A2CYP2A6POLBFABP4KMT2A
SCHEMBL17212139 0.80 AURKA (0.53) CYP1A2CYP2A6POLBFABP4TTR
SCHEMBL17441666 0.79 LDHA (0.62) CYP1A2CYP2A6POLBFABP4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101454289-B Substituted tetrahydroisoquinoline compounds, their preparation and use in medicine ESTEVE LABOR DR 2012-07-04 — — CN claimed
EP-2007729-B1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS ESTEVE LABOR DR (ES) 2012-06-27 — — EP claimed
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (ES) 2009-08-20 — — US claimed
CN-101454289-A Substituted tetrahydroisoquinoline compounds, their preparation and use in medicine ESTEVE LABOR DR (ES) 2009-06-10 — — CN claimed
EP-2007729-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 2008-12-31 — — EP claimed
WO-2007107373-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS, THEIR PREPARATION AND USE IN MEDICAMENTS LABORATORIOS DEL DR. ESTEVE S.A. (DE) 2007-09-27 — — WO claimed
EP-0946539-B1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 2003-08-13 — — EP claimed
US-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments SMITHKLINE BEECHAM P.L.C. 2003-04-10 — — US claimed
CN-1246116-A Sulfonamide derivatives, process for their preparation and their use as medicaments SMITHKLINE BEECHAM PLC (GB) 2000-03-01 — — CN claimed
EP-0946539-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1999-10-06 — — EP claimed
WO-1998027081-A1 SULPHONAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS SMITHKLINE BEECHAM PLC (GB) 1998-06-25 — — WO claimed
US-9541850-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-01-10 — — US disclosed
US-9541850-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2017-01-10 — — US disclosed
US-20150309426-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2015-10-29 — — US disclosed
US-20150309426-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2015-10-29 — — US disclosed
EP-0022880-B1 PROCESS FOR THE SEPARATION OF LEUCINE, ISOLEUCINE AND VALINE MAGGI A.G. (CH) 1982-04-21 — — EP disclosed
US-4263450-A PRECIPITATION AS HYDROCHLORIDE SOCIETE D'ASSISTANCE TECHNIQUE POUR PRODUITS NESTLE S.A. (CH) 1981-04-21 — — US disclosed
EP-0022880-A1 Process for the separation of leucine, isoleucine and valine MAGGI A.G. (CH) 1981-01-28 — — EP disclosed
US-4091013-A Process for preparing 1-amino-naphthalene-7-sulphonic acid BAYER AKTIENGESELLSCHAFT (DT) 1978-05-23 — — US disclosed
US-3987092-A PROCESS FOR THE PREPARATION OF A SALT OF OPTICALLY ACTIVE LYSINE STAMICARBON N.V. (NL) 1976-10-19 — — 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-20030069233-A1 Sulphonamide derivatives, process for their preparation, and their use as medicaments TPMT, MPST, STS CYP1A2 1575/4885CYP2A6 432/4885POLB 3308/4885
US-20090209528-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUND, THEIR PREPARATION AND USE IN MEDICAMENTS HTR6, HTR5A, HTR7 CYP1A2 88/4885CYP2A6 26/4885POLB 3424/4885

“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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