SCHEMBL4694659

SCHEMBL4694659

COc1ccnc(CSc2nc3ccccc3n2OC(F)F)c1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 7/20 0.39
▸ POLB P06746 3/20 0.38
▸ ATP4A P20648 3/20 0.36
▸ ATP4B P51164 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ CYP2C9 P11712 3/20 0.36
▸ CYP3A4 P08684 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ SLC22A2 O15244 1/20 0.36
▸ DDAH1 O94760 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ABCB1 P08183 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ FASN P49327 1/20 0.36
▸ SLC47A2 Q86VL8 1/20 0.36
▸ SLC47A1 Q96FL8 1/20 0.36

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
SCHEMBL4778116 0.89 MAPT (0.39) PTGDR2POLBRAB9ACYP2C9ALDH1A1
SCHEMBL6884035 0.86 ATP4A (0.36) PTGDR2ATP4AATP4BCYP2C9CYP3A4
SCHEMBL2189523 0.78 ATP4A (0.35) ATP4AATP4BRAB9ACYP2C9CYP3A4
SCHEMBL11005326 0.77 ATP1A1 (0.37) PTGDR2ATP4AATP4BRAB9ACYP2C9
SCHEMBL11003310 0.77 ATP4A (0.38) PTGDR2POLBATP4AATP4BRAB9A
SCHEMBL20387989 0.75 POLB (0.38) PTGDR2POLBRAB9AALDH1A1MAPT
SCHEMBL3185631 0.73 ATP4A (0.32) ATP4AATP4BRAB9ACYP2C9CYP3A4
SCHEMBL6871760 0.72 ATP1A1 (0.38) PTGDR2ATP4AATP4BCYP2C9ALDH1A1
SCHEMBL5727682 0.70 MEN1 (0.33) POLBRAB9AKDM4EALDH1A1LMNA
SCHEMBL10817929 0.70 RAB9A (0.40) POLBRAB9AKDM4EALDH1A1LMNA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1466897-B1 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group in the presence of epsilon-phthalimidoperhexanoic acid DIPHARMA FRANCIS SRL (IT) 2008-12-17 — — EP disclosed
EP-1963305-A1 AN IMPROVED PROCESS FOR PREPARING OF, IMPURITIES FREE, SUBSTITUTED 2-BENZIMIDAZOLESULFOXIDE COMPOUND Pliva Hrvatska D.O.O. (HR) 2008-09-03 — — EP disclosed
EP-1893602-A2 PANTOPRAZOLE FREE ACID FORM III Medichem, S.A. (ES) 2008-03-05 — — EP disclosed
WO-2007068925-A1 AN IMPROVED PROCESS FOR PREPARING OF, IMPURITIES FREE, SUBSTITUTED 2-BENZIMIDAZOLESULFOXIDE COMPOUND PLIVA HRVATSKA D.O.O. (HR) 2007-06-21 — — WO disclosed
WO-2007036771-A2 PANTOPRAZOLE FREE ACID FORM III MEDICHEM, S.A. (US) 2007-04-05 — — WO disclosed
US-6998490-B2 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group DINAMITE DIPHARMA S.P.A. (IT) 2006-02-14 — — US disclosed
EP-1615913-A2 PROCESS FOR PREPARING 2-(PYRIDINYL)METHYL SULFINYL-SUBSTITUTED BENZIMIDAZOLES AND NOVEL CHLORINATED DERIVATIVES OF PANTOPRAZOLE Teva Pharmaceutical Industries Limited (IL) 2006-01-18 — — EP disclosed
WO-2004111029-A2 PROCESS FOR PREPARING 2-[(PYRIDINYL)METHYL]SULFINYL-SUBSTITUTED BENZIMIDAZOLES AND NOVEL CHLORINATED DERIVATIVES OF PANTOPRAZOLE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-12-23 — — WO disclosed
EP-1466897-A1 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group in the presence of epsilon-phthalimidoperhexanoic acid Dipharma S.p.A. (IT) 2004-10-13 — — EP disclosed
US-20040192929-A1 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group DINAMITE DIPHARMA S.P.A. ABBREVIATED DIPHARMA S.P.A. 2004-09-30 — — 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 (1 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-20040192929-A1 Process for the preparation of organic compounds containing a sulfinyl or sulfonyl group STS, MPST, SULT2A1 PTGDR2 2327/4885POLB 3802/4885ATP4A 4059/4885

“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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