SCHEMBL939786

SCHEMBL939786

C[C@@H](O)[C@](O)(Cn1cncn1)c1cc(F)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 15/20 0.58
CYP2C9 P11712 12/20 0.58
CYP2C19 P33261 12/20 0.58
LMNA P02545 2/20 0.58
HSP90AA1 P07900 2/20 0.58
CYP19A1 P11511 1/20 0.58
CYP11B1 P15538 1/20 0.58
CYP11B2 P19099 1/20 0.58
ADRA1A P35348 1/20 0.58
CYP51A1 Q16850 1/20 0.58
CYP2B6 P20813 1/20 0.58
CYP3A5 P20815 1/20 0.58
CYP3A7 P24462 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP3A43 Q9HB55 1/20 0.58
CYP46A1 Q9Y6A2 1/20 0.58
ABCG2 Q9UNQ0 1/20 0.56
CYP1A2 P05177 6/20 0.53
CYP2D6 P10635 6/20 0.53
KCNH2 Q12809 3/20 0.52

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
SCHEMBL30485082 1.00 CYP3A4 (0.58) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL17670572 1.00 CYP3A4 (0.58) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
Oxalic Acid SCHEMBL3444375 0.94 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
Oxalic Acid SCHEMBL17673080 0.94 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL10597737 0.90 CYP3A4 (0.70) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL2566503 0.90 CYP3A4 (0.70) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL7478959 0.90 CYP3A4 (0.70) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL7537507 0.90 CYP3A4 (0.70) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL2912761 0.90 CYP3A4 (0.70) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL18717940 0.90 CYP3A4 (0.70) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015150947-A1 A PROCESS FOR THE PREPARATION OF ISAVUCONAZOLE AND ITS INTERMEDIATES WOCKHARDT LIMITED (IN) 2015-10-08 WO claimed
WO-1999045008-A1 3-[4-(4-CYANOPHENYL)THIAZOL-2-Y)]-1-(1H-1,2,4-TRIAZOL-1-YL)-BUTAN-2-OL DERIVATIVES HAVING ANTIFUNGAL ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 1999-09-10 WO claimed
EP-3666762-B1 METHOD FOR PRODUCING EPOXY ALCOHOL COMPOUND SUMITOMO CHEMICAL CO (JP) 2022-04-06 EP disclosed
EP-3564207-B1 METHOD FOR PRODUCING ALCOHOL COMPOUND KANEKA CORP (JP) 2021-09-15 EP disclosed
US-10919829-B2 Method for producing alcohol compound KANEKA CORPORATION (JP) 2021-02-16 US disclosed
US-10730861-B2 Process for producing epoxy alcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-08-04 US disclosed
EP-3666762-A1 METHOD FOR PRODUCING EPOXY ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2020-06-17 EP disclosed
US-20200172520-A1 PROCESS FOR PRODUCING EPOXY ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-06-04 US disclosed
EP-3564207-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND Kaneka Corporation (JP) 2019-11-06 EP disclosed
US-20190300465-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND KANEKA CORPORATION (JP) 2019-10-03 US disclosed
WO-2016055918-A1 NOVEL STABLE POLYMORPHS OF ISAVUCONAZOLE OR ITS SALT THEREOF WOCKHARDT LIMITED (IN) 2016-04-14 WO disclosed
US-20110087030-A1 Process for the manufacture of enantiomerically pure antifungal azoles as ravuconazole and isavuconazole Carbo-Design LLC 2011-04-14 US disclosed
US-20110087030-A1 Process for the manufacture of enantiomerically pure antifungal azoles as ravuconazole and isavuconazole Carbo-Design LLC 2011-04-14 US disclosed
WO-2011042827-A1 PROCESS FOR THE MANUFACTURE OF ENANTIOMERICALLY PURE ANTIFUNGAL AZOLES AS RAVUCONAZOLE AND ISAVUCONAZOLE CarboDesign LLC (US) 2011-04-14 WO disclosed
US-20110021794-A1 Process for the manufacture of epoxy triazole derivatives MULLER MARC 2011-01-27 US disclosed
US-7816537-B2 Process for the manufacture of epoxybutanol intermediates BASILEA PHARMACEUTICA AG (CH) 2010-10-19 US disclosed
US-20090299073-A1 Process for the Manufacture of Epoxybutanol Intermediates MULLER MARC 2009-12-03 US disclosed
EP-1954264-B1 PROCESS FOR THE MANUFACTURE OF EPOXYBUTANOL INTERMEDIATES BASILEA PHARMACEUTICA AG (CH) 2009-10-07 EP disclosed
US-6300353-B1 FOR THERAPY OF FUNGAL INFECTIONS BASILEA PHARMACEUTICA AG, A SWISS COMPANY (CH) 2001-10-09 US disclosed
WO-1999045008-A1 3-[4-(4-CYANOPHENYL)THIAZOL-2-Y)]-1-(1H-1,2,4-TRIAZOL-1-YL)-BUTAN-2-OL DERIVATIVES HAVING ANTIFUNGAL ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 1999-09-10 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 (7 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-20110087030-A1 Process for the manufacture of enantiomerically pure antifungal azoles as ravuconazole and isavuconazole CYP51A1, ERG28, CYP3A4 CYP3A4 3/4885CYP2C9 18/4885CYP2C19 13/4885
US-20110021794-A1 Process for the manufacture of epoxy triazole derivatives POR, CYP2E1, CYP1A1 CYP3A4 7/4885CYP2C9 16/4885CYP2C19 20/4885
US-10919829-B2 Method for producing alcohol compound ADH1A, ADH1C, MEP1B CYP3A4 758/4885CYP2C9 1512/4885CYP2C19 1658/4885
US-20090299073-A1 Process for the Manufacture of Epoxybutanol Intermediates POR, CYP4A11, CYP1A1 CYP3A4 15/4885CYP2C9 38/4885CYP2C19 42/4885
US-20200172520-A1 PROCESS FOR PRODUCING EPOXY ALCOHOL COMPOUND ERG28, CYP2E1, ADH5 CYP3A4 32/4885CYP2C9 108/4885CYP2C19 282/4885
US-10730861-B2 Process for producing epoxy alcohol compound ERG28, CYP2E1, ADH5 CYP3A4 32/4885CYP2C9 108/4885CYP2C19 282/4885
US-20190300465-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, MEP1B CYP3A4 758/4885CYP2C9 1512/4885CYP2C19 1658/4885

“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.