SCHEMBL755318

SCHEMBL755318

[CH2]S(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
CYP3A4 P08684 1/20 0.62
MAPK1 P28482 1/20 0.62
CA1 P00915 4/20 0.56
CA2 P00918 4/20 0.56
CA12 O43570 3/20 0.56
CA3 P07451 3/20 0.56
CA4 P22748 3/20 0.56
CA6 P23280 3/20 0.56
CA5A P35218 3/20 0.56
CA7 P43166 3/20 0.56
CA9 Q16790 3/20 0.56
CA13 Q8N1Q1 3/20 0.56
CA14 Q9ULX7 3/20 0.56
CA5B Q9Y2D0 3/20 0.56
MMP2 P08253 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
MMP1 P03956 1/20 0.50
MMP9 P14780 1/20 0.50

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
SCHEMBL9762603 0.77 ALDH1A1 (0.68) ALDH1A1CYP3A4MAPK1CA1CA2
SCHEMBL4328031 0.77 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPK1CA1CA2
SCHEMBL22742 0.77 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPK1CA1CA2
SCHEMBL9313173 0.77 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPK1CA1CA2
SCHEMBL2122579 0.77 ALDH1A1 (1.00) ALDH1A1CYP3A4MAPK1CA1CA2
SCHEMBL329872 0.74 ALDH1A1 (0.65) ALDH1A1CYP3A4MAPK1CA1CA2
SCHEMBL67558 0.74 ALDH1A1 (0.65) ALDH1A1CYP3A4MAPK1CA1CA2
SCHEMBL16713293 0.74 ALDH1A1 (0.94) ALDH1A1CYP3A4MAPK1CA1CA2
SCHEMBL6913638 0.74 ALDH1A1 (0.65) ALDH1A1CYP3A4MAPK1CA1CA2
Ethylene SCHEMBL28395332 0.74 ALDH1A1 (0.56) ALDH1A1CYP3A4MAPK1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016336-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE EyePoint Pharmaceuticals, Inc. 2010-01-21 US claimed
US-7622593-B2 4-{2-[2-(tert-Butoxycarbonyl)-3-phenylpropanamido]-2-(4-ethylthiazol-2-yl)ethyl}phenylsulfamic acid; anticarcinogenic, antitumor, antidiabrtic agent; angiogenesis inhibitor; sarcoid, syphilis, Paget's disease, vein occlusion, artery occlusion, carotid obstructive disease, chronic uveitis/vitritis THE PROCTER & GAMBLE COMPANY (US) 2009-11-24 US claimed
EP-2041102-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE The Procter & Gamble Company (US) 2009-04-01 EP claimed
US-20080207706-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD (JP) 2008-08-28 US claimed
US-20080119522-A1 5,6-dichloro-2-(2,2,2-trifluoro-ethyl)-1H-benzimidazole for example; use for prostate cancer, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive, and/or as a male performance enhancer NG RAYMOND 2008-05-22 US claimed
US-20080108631-A1 4-{2-[2-(tert-Butoxycarbonyl)-3-phenylpropanamido]-2-(4-ethylthiazol-2-yl)ethyl}phenylsulfamic acid; anticarcinogenic, antitumor, antidiabrtic agent; angiogenesis inhibitor; sarcoid, syphilis, Paget's disease, vein occlusion, artery occlusion, carotid obstructive disease, chronic uveitis/vitritis THE PROCTER & GAMBLE COMPANY (US) 2008-05-08 US claimed
WO-2008002569-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO claimed
EP-1812406-A2 NOVEL BENZIMIDAZOLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-01 EP claimed
EP-1507776-B1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC (US) 2007-02-28 EP claimed
US-7119111-B2 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN, INC. (US) 2006-10-10 US claimed
EP-1507776-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS Amgen Inc. (US) 2005-02-23 EP claimed
EP-1454903-A1 THIADIAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-09-08 EP claimed
US-20040147561-A1 Pyrid-2-one derivatives and methods of use SYNGENTA CROP PROTECTION AG (CH) 2004-07-29 US claimed
WO-2004060890-A1 2-OXOPYRIDIN-3-YL THIA (DI) AZOLE DERIVATES FOR USE IN THE TREATMENT OF CELL PROLIFERATION AND APOPTOSIS RELATED DISEASES AMGEN INC. (US) 2004-07-22 WO claimed
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN INC. 2003-12-11 US claimed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 WO claimed
US-6235928-B1 ENZYME INHIBITOR MATRIX METALLOPROTEINASE FAMILY, INCLUDING COLLAGENASE, STROMELYSIN, AND GELATINASE, THE COMPOUNDS OR PHARMACEUTICAL COMPOSITIONS PHARMACIA & UPJOHN COMPANY 2001-05-22 US claimed
EP-0929519-A1 $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-07-21 EP claimed
US-5847153-A β-sulfonyl hydroxamic acids PHARMACIA & UPJOHN COMPANY (US) 1998-12-08 US claimed
WO-1998013340-A1 β-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1998-04-02 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20100016336-A1 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE PTPRCAP, PTPRC, PPP5C ALDH1A1 4349/4885CYP3A4 4826/4885MAPK1 2188/4885
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use CASP3, BAX, BAD ALDH1A1 271/4885CYP3A4 104/4885MAPK1 1286/4885
US-20040147561-A1 Pyrid-2-one derivatives and methods of use PLPBP, PNPO, PDXK ALDH1A1 481/4885CYP3A4 218/4885MAPK1 694/4885
US-20080119522-A1 5,6-dichloro-2-(2,2,2-trifluoro-ethyl)-1H-benzimidazole for example; use for prostate cancer, benign prostatic hyperplasia (BPH), hirsutism, alopecia, anorexia nervosa, breast cancer, acne, AIDS, cachexia, as a male contraceptive, and/or as a male performance enhancer AR, FSHR, BRDT ALDH1A1 888/4885CYP3A4 594/4885MAPK1 3264/4885
US-20080108631-A1 4-{2-[2-(tert-Butoxycarbonyl)-3-phenylpropanamido]-2-(4-ethylthiazol-2-yl)ethyl}phenylsulfamic acid; anticarcinogenic, antitumor, antidiabrtic agent; angiogenesis inhibitor; sarcoid, syphilis, Paget's disease, vein occlusion, artery occlusion, carotid obstructive disease, chronic uveitis/vitritis VASP, DUSP15, PPP5C ALDH1A1 3961/4885CYP3A4 4529/4885MAPK1 903/4885
US-20080207706-A1 THIADIAZOLINE DERIVATIVE BRWD1, RB1, ARG2 ALDH1A1 343/4885CYP3A4 2717/4885MAPK1 883/4885

“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.