SCHEMBL5074508

SCHEMBL5074508

CC1(C)COC(CCCO)OC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.33
PRKD3 O94806 2/20 0.31
PRKCG P05129 2/20 0.31
PRKCB P05771 2/20 0.31
PRKCA P17252 2/20 0.31
PRKCH P24723 2/20 0.31
PRKCI P41743 2/20 0.31
PRKCE Q02156 2/20 0.31
PRKCQ Q04759 2/20 0.31
PRKCZ Q05513 2/20 0.31
PRKCD Q05655 2/20 0.31
PRKD1 Q15139 2/20 0.31
EPHX1 P07099 1/20 0.30

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
SCHEMBL712301 0.86 EPHX1 (0.32) EPHX1
SCHEMBL7203570 0.82
SCHEMBL11983845 0.80 ALDH1A1 (0.41) EPHX1
SCHEMBL256016 0.78 ALDH1A1 (0.50) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL4074204 0.78
SCHEMBL3862714 0.77 ALDH1A1 (0.30)
SCHEMBL11219791 0.77 ALDH1A1 (0.54) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL20732767 0.77 ALDH1A1 (0.54) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL712128 0.77 EPHX1 (0.35) EPHX1
SCHEMBL10300847 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009624-A9 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
US-20110009624-A9 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 US disclosed
US-20090292120-A1 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-26 US disclosed
US-20090292120-A1 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-26 US disclosed
EP-1288206-B1 Substituted benzenesulfonamide derivatives as prodrugs of COX-2 inhibitors SEARLE LLC (US) 2008-09-17 EP disclosed
US-7420061-B2 Process for preparing prodrugs of benzenesulfonamide-containing COX-2 inhibitors PHARMACIA CORPORATION (US) 2008-09-02 US disclosed
US-7420061-B2 Process for preparing prodrugs of benzenesulfonamide-containing COX-2 inhibitors PHARMACIA CORPORATION (US) 2008-09-02 US disclosed
US-7420061-B2 Process for preparing prodrugs of benzenesulfonamide-containing COX-2 inhibitors PHARMACIA CORPORATION (US) 2008-09-02 US disclosed
EP-1379513-B1 PRODRUGS OF COX-2 INHIBITORS PHARMACIA CORP (US) 2007-08-22 EP disclosed
US-6911468-B2 Tyrosine phosphatase inhibitors TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-06-28 US disclosed
US-20030069287-A1 Process for preparing prodrugs of benzenesulfonamide-containing cox-2 inhibitors PHARMACIA CORPORATION 2003-04-10 US disclosed
EP-1288206-A1 Substituted benzenesulfonamide derivatives as prodrugs of COX-2 inhibitors G.D. SEARLE & CO. (US) 2003-03-05 EP disclosed
EP-1284260-A1 TYROSINE PHOSPHATASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2003-02-19 EP disclosed
CN-1098256-C Substd. benzenesulfonamide derivs as prodrugs of COX-2 inhibitors SEARLE & CO (US) 2003-01-08 CN disclosed
US-6436967-B1 PREFERENTIAL CYCLOOXYGENASE INHIBITORS USED AS INJECTABLE ANALGESIC AND ANTIINFLAMMATORY AGENTS HAVING REDUCED SIDE EFFECTS; ACYLATION PHARMACIA CORPORATION 2002-08-20 US disclosed
US-6248498-B1 PHOTOSENSITIVE MODIFIED VINYL ALCOHOL POLYMER GRAFTED WITH FURANYL QUATERNARY HETEROCYCLE FOR HYDROPHOBIC POLYMER THE CHROMALINE CORPORATION 2001-06-19 US disclosed
US-5932598-A NOVEL SUBSTITUTED SULFONAMIDE COMPOUNDS USEFUL AS PRODRUGS; ADMINISTERING TO TREAT INFLAMMATION-ASSOCIATED PAIN DUE TO CANCER, DENTAL PAIN; CYCLOOXYGENASE-2 INHIBITORS G. D. SEARLE & CO. (US) 1999-08-03 US disclosed
CN-1216043-A Substd. benzenesulfonamide derivs as prodrugs of COX-2 inhibitors SEARLE & CO (US) 1999-05-05 CN disclosed
EP-0892791-A1 SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AS PRODRUGS OF COX-2 INHIBITORS G.D. SEARLE & CO. (US) 1999-01-27 EP disclosed
WO-1997038986-A1 SUBSTITUTED BENZENESULFONAMIDE DERIVATIVES AS PRODRUGS OF COX-2 INHIBITORS G.D. SEARLE & CO. (US) 1997-10-23 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 (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-20090292120-A1 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION GIPR, HRH2, SI UGT2B7 247/4885PRKD3 3748/4885PRKCG 3669/4885
US-20110009624-A9 BENZIMIDAZOLE COMPOUNDS HAVING GASTRIC ACID SECRETION INHIBITORY ACTION GIPR, HRH2, SI UGT2B7 247/4885PRKD3 3748/4885PRKCG 3669/4885
US-20030069287-A1 Process for preparing prodrugs of benzenesulfonamide-containing cox-2 inhibitors PTGS2, PTGES2, PTGES UGT2B7 56/4885PRKD3 3897/4885PRKCG 3778/4885

“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.