Voriconazole

Voriconazole

SCHEMBL16596111

C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F.O=P([O-])([O-])[O-].[Na+].[Na+].[Na+]

nearest known ligand 0.88

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ERG11

The experimentally established mechanism targets of Voriconazole. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 18/20 0.88
CYP2C9 P11712 12/20 0.88
CYP2C19 P33261 12/20 0.88
LMNA P02545 2/20 0.88
CYP2B6 P20813 1/20 0.88
CYP3A5 P20815 1/20 0.88
CYP3A7 P24462 1/20 0.88
MAPK1 P28482 1/20 0.88
CYP3A43 Q9HB55 1/20 0.88
CYP46A1 Q9Y6A2 1/20 0.88
HSP90AA1 P07900 1/20 0.52
CYP19A1 P11511 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
ADRA1A P35348 1/20 0.52
CYP51A1 Q16850 1/20 0.52
CYP1A2 P05177 6/20 0.51
CYP2D6 P10635 6/20 0.51
KCNH2 Q12809 3/20 0.51

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
Voriconazole SCHEMBL17938262 0.99 CYP3A4 (0.86) CYP3A4CYP2C9CYP2C19LMNACYP2B6
Voriconazole SCHEMBL16596105 0.95 CYP3A4 (0.91) CYP3A4CYP2C9CYP2C19LMNACYP2B6
Voriconazole SCHEMBL28314862 0.95 CYP3A4 (0.91) CYP3A4CYP2C9CYP2C19LMNACYP2B6
Voriconazole SCHEMBL27920423 0.94 CYP3A4 (0.89) CYP3A4CYP2C9CYP2C19LMNACYP2B6
Voriconazole SCHEMBL17938274 0.94 CYP3A4 (0.89) CYP3A4CYP2C9CYP2C19LMNACYP2B6
Voriconazole SCHEMBL4709722 0.94 CYP3A4 (1.00) CYP3A4CYP2C9CYP2C19LMNACYP2B6
Voriconazole SCHEMBL1554444 0.94 CYP3A4 (1.00) CYP3A4CYP2C9CYP2C19LMNACYP2B6
Voriconazole SCHEMBL824156 0.94 CYP3A4 (1.00) CYP3A4CYP2C9CYP2C19LMNACYP2B6
Voriconazole SCHEMBL29449336 0.94 CYP3A4 (1.00) CYP3A4CYP2C9CYP2C19LMNACYP2B6
Voriconazole SCHEMBL29378592 0.94 CYP3A4 (1.00) CYP3A4CYP2C9CYP2C19LMNACYP2B6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650400-B2 Voriconazole sodium phosphate hydrates and polymorphs thereof SHAANXI SYNTHETIC PHARMACEUTICAL CO., LTD. (CN) 2017-05-16 US claimed
US-20160215008-A1 VORICONAZOLE SODIUM PHOSPHATE HYDRATES AND POLYMORPHS THEREOF SHAANXI SYNTHETIC PHARMACEUTICAL CO., LTD. (CN) 2016-07-28 US claimed
US-9650400-B2 Voriconazole sodium phosphate hydrates and polymorphs thereof SHAANXI SYNTHETIC PHARMACEUTICAL CO., LTD. (CN) 2017-05-16 US disclosed
US-9650400-B2 Voriconazole sodium phosphate hydrates and polymorphs thereof SHAANXI SYNTHETIC PHARMACEUTICAL CO., LTD. (CN) 2017-05-16 US disclosed
US-20160215008-A1 VORICONAZOLE SODIUM PHOSPHATE HYDRATES AND POLYMORPHS THEREOF SHAANXI SYNTHETIC PHARMACEUTICAL CO., LTD. (CN) 2016-07-28 US disclosed
US-20160215008-A1 VORICONAZOLE SODIUM PHOSPHATE HYDRATES AND POLYMORPHS THEREOF SHAANXI SYNTHETIC PHARMACEUTICAL CO., LTD. (CN) 2016-07-28 US disclosed
WO-2015043453-A1 VORICONAZOLE SODIUM PHOSPHATE HYDRATES AND POLYMORPHS THEREOF 陕西合成药业股份有限公司 2015-04-02 WO disclosed
WO-2015043453-A1 VORICONAZOLE SODIUM PHOSPHATE HYDRATES AND POLYMORPHS THEREOF 陕西合成药业股份有限公司 2015-04-02 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 (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-20160215008-A1 VORICONAZOLE SODIUM PHOSPHATE HYDRATES AND POLYMORPHS THEREOF PIK3C3, WNK3, ERG28 CYP3A4 51/4885CYP2C9 202/4885CYP2C19 168/4885

“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.