SCHEMBL1023819

SCHEMBL1023819

O=S(=O)(Cl)c1ccc(Br)cc1OC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 5/20 0.52
PTPN1 P18031 1/20 0.46
PPARG P37231 1/20 0.42
MCHR1 Q99705 5/20 0.41
ADRA2A P08913 4/20 0.41
NPY5R Q15761 4/20 0.41
TRPV4 Q9HBA0 1/20 0.40
WDR5 P61964 1/20 0.40
IDH1 O75874 1/20 0.39
HSD17B1 P14061 3/20 0.39
HSD17B2 P37059 3/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 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
SCHEMBL4617905 0.87 ALPL (0.48) ALPLPTPN1WDR5IDH1MAOA
SCHEMBL2653076 0.83 ALPL (0.52) ALPLPTPN1PPARGMCHR1ADRA2A
SCHEMBL1542154 0.83 ALPL (0.52) ALPLPTPN1PPARGMCHR1ADRA2A
SCHEMBL29843178 0.83 ALPL (0.52) ALPLPTPN1PPARGMCHR1ADRA2A
Hydrochloric Acid SCHEMBL27749584 0.82 ALPL (0.51) ALPLPTPN1PPARGMCHR1ADRA2A
SCHEMBL5704864 0.81 TRPV4 (0.62) ALPLTRPV4EPAS1
SCHEMBL3018907 0.80 ALPL (0.58) ALPLPTPN1PPARGMCHR1ADRA2A
SCHEMBL16186184 0.80 ALPL (0.49) ALPLPTPN1PPARGMCHR1ADRA2A
SCHEMBL2831975 0.80 PTPN1 (0.51) ALPLPTPN1MCHR1ADRA2ANPY5R
SCHEMBL3017809 0.79 GLA (0.58) ALPLPTPN1PPARGMCHR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242861-A1 Synthesis of amino-protected cyclohexane-1,4-diyldimethanamine and its derivatives TAIGEN BIOTECHNOLOGY (TW) 2008-10-02 US claimed
US-20220024891-A1 THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2022-01-27 US disclosed
EP-3890715-A1 THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER The Board Of Regents Of The University Of Texas System (US) 2021-10-13 EP disclosed
US-10889555-B2 Sulfonamide compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2021-01-12 US disclosed
US-20200405697-A1 Antitumor Agent TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-12-31 US disclosed
US-20200399235-A1 Sulfonamide Compound or Salt Thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-12-24 US disclosed
WO-2020117972-A1 THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-06-11 WO disclosed
EP-3044218-B1 THERAPEUTICS TARGETING TRUNCATED ADENOMATOUS POLYPOSIS COLI (APC) PROTEINS UNIV TEXAS (US) 2020-05-27 EP disclosed
US-20200157066-A1 Sulfonamide Compound or Salt Thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2020-05-21 US disclosed
US-10597378-B2 Tetrahydroisoquinolines for use as MOR/NOP dual agonists NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2020-03-24 US disclosed
WO-2003028641-A2 MCH RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO., LTD. (JP) 2003-04-10 WO disclosed
EP-1296967-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS Tularik Inc. (US) 2003-04-02 EP disclosed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 WO disclosed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO disclosed
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS AMGEN INC. 2002-11-14 US disclosed
WO-2002041889-A2 INDOLSULFONYL COMPOUNDS USEFUL IN THE TREATMENT OF CNS DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-05-30 WO disclosed
WO-2002024672-A2 BRANCHED CHAIN AMINO ACID-DEPENDENT AMINOTRANSFERASE INHIBITORS AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY LLC (US) 2002-03-28 WO disclosed
WO-2002000633-A1 QUINOLINYL AND BENZOTHIAZOLYL PPAR-GAMMA MODULATORS TULARIK INC. (US) 2002-01-03 WO disclosed
EP-1056743-A1 BENZAMINE DERIVATIVES MERCK PATENT GmbH (DE) 2000-12-06 EP disclosed
WO-1999031092-A1 BENZAMINE DERIVATIVES MERCK PATENT GMBH (DE) 1999-06-24 WO 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 (8 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-20080242861-A1 Synthesis of amino-protected cyclohexane-1,4-diyldimethanamine and its derivatives DDC, PNMT, DDT ALPL 4543/4885PTPN1 4768/4885PPARG 4272/4885
US-20200399235-A1 Sulfonamide Compound or Salt Thereof RNASEH1, SNRPA1, RRM2 ALPL 4445/4885PTPN1 2260/4885PPARG 3817/4885
US-10597378-B2 Tetrahydroisoquinolines for use as MOR/NOP dual agonists OPRL1, OPRM1, OPRK1 ALPL 4516/4885PTPN1 2577/4885PPARG 669/4885
US-20220024891-A1 THERAPEUTICS TARGETING MUTANT ADENOMATOUS POLYPOSIS COLI (APC) FOR THE TREATMENT OF CANCER APC, VHL, KRAS ALPL 3405/4885PTPN1 2628/4885PPARG 2323/4885
US-20200157066-A1 Sulfonamide Compound or Salt Thereof RNASEH1, SNRPA1, RRM2 ALPL 4445/4885PTPN1 2260/4885PPARG 3817/4885
US-10889555-B2 Sulfonamide compound or salt thereof RNASEH1, SNRPA1, RRM2 ALPL 4445/4885PTPN1 2260/4885PPARG 3817/4885
US-20020169185-A1 QUINOLINYL AND BENZOTHIAZOLYL MODULATORS PPARA, PPARG, PPARD ALPL 2463/4885PTPN1 1398/4885PPARG 2/4885
US-20200405697-A1 Antitumor Agent HNRNPR, RRM2, RRM2B ALPL 4503/4885PTPN1 1545/4885PPARG 4342/4885

“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.