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Sugi Predict / Compounds / SCHEMBL2810050

SCHEMBL2810050

SCHEMBL2810050

C[C@@H](c1ncncc1F)[C@@](Cn1cncn1)(OP(=O)(O)O)c1ccc(F)cc1F

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 18/20 0.68
▸ CYP2C9 P11712 12/20 0.68
▸ CYP2C19 P33261 12/20 0.68
▸ LMNA P02545 2/20 0.68
▸ CYP2B6 P20813 1/20 0.68
▸ CYP3A5 P20815 1/20 0.68
▸ CYP3A7 P24462 1/20 0.68
▸ MAPK1 P28482 1/20 0.68
▸ CYP3A43 Q9HB55 1/20 0.68
▸ CYP46A1 Q9Y6A2 1/20 0.68
▸ HSP90AA1 P07900 1/20 0.48
▸ CYP19A1 P11511 1/20 0.48
▸ CYP11B1 P15538 1/20 0.48
▸ CYP11B2 P19099 1/20 0.48
▸ ADRA1A P35348 1/20 0.48
▸ CYP51A1 Q16850 1/20 0.48
▸ CYP1A2 P05177 6/20 0.44
▸ CYP2D6 P10635 6/20 0.44
▸ KCNH2 Q12809 3/20 0.43

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
SCHEMBL2810056 1.00 CYP3A4 (0.68) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL20016723 1.00 CYP3A4 (0.68) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL6835009 1.00 CYP3A4 (0.68) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL6858591 0.92 CYP3A4 (0.67) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL6858589 0.92 CYP3A4 (0.67) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL14581436 0.87 CYP3A4 (0.72) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL17954205 0.87 CYP3A4 (0.69) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL14222500 0.87 CYP3A4 (0.69) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL14612745 0.85 CYP3A4 (0.67) CYP3A4CYP2C9CYP2C19LMNACYP2B6
SCHEMBL3978676 0.85 CYP3A4 (0.67) 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249426-A1 STABILIZED PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-30 — — US claimed
EP-1987830-A1 STABILIZED PHARMACEUTICAL COMPOSITION Eisai R&D Management Co., Ltd. (JP) 2008-11-05 — — EP claimed
US-6790957-B2 CONVERTING TERTIARY HYDROXY GROUP OF A TRIAZOLE ANTIFUNGAL COMPOUND INTO A PHOSPHATE GROUP TO IMPROVE AQUEOUS SOLUBILITY PFIZER, INC. 2004-09-14 — — US claimed
US-20030144250-A1 Triazole derivatives useful in therapy GREEN STUART (GB) 2003-07-31 — — US claimed
EP-0880533-B1 Triazole derivatives useful in therapy PFIZER RES & DEV (IE) 2002-06-12 — — EP claimed
EP-0880533-A1 TRIAZOLE DERIVATIVES USEFUL IN THERAPY Pfizer Research and Development Company, N.V./S.A. (IE) 1998-12-02 — — EP claimed
WO-1997028169-A1 TRIAZOLE DERIVATIVES USEFUL IN THERAPY PFIZER RESEARCH AND DEVELOPMENT COMPANY, N.V./S.A. (IE) 1997-08-07 — — WO claimed
US-9931295-B2 Stabilized pharmaceutical composition EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-04-03 — — US disclosed
US-9931295-B2 Stabilized pharmaceutical composition EISAI R&D MANAGEMENT CO., LTD. (JP) 2018-04-03 — — 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-20100249426-A1 STABILIZED PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-30 — — US disclosed
US-20100249426-A1 STABILIZED PHARMACEUTICAL COMPOSITION EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-30 — — US disclosed
US-20050130940-A1 Triazole derivatives useful in therapy PFIZER INC. 2005-06-16 — — US disclosed
WO-2005051353-A2 PHARMACEUTICAL FORMULATIONS COMPRISING VORICONAZOLE PFIZER LIMITED (GB) 2005-06-09 — — WO disclosed
US-20050112204-A1 Pharmaceutical formulations PFIZER INC. 2005-05-26 — — US disclosed
US-20040236105-A1 Triazole derivatives useful in therapy PFIZER, INC. 2004-11-25 — — US disclosed
US-6790957-B2 CONVERTING TERTIARY HYDROXY GROUP OF A TRIAZOLE ANTIFUNGAL COMPOUND INTO A PHOSPHATE GROUP TO IMPROVE AQUEOUS SOLUBILITY PFIZER, INC. 2004-09-14 — — US disclosed
US-20030144250-A1 Triazole derivatives useful in therapy GREEN STUART (GB) 2003-07-31 — — US disclosed
EP-0880533-B1 Triazole derivatives useful in therapy PFIZER RES & DEV (IE) 2002-06-12 — — EP 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 (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-20050130940-A1 Triazole derivatives useful in therapy ERG28, CYP51A1, THOP1 CYP3A4 61/4885CYP2C9 299/4885CYP2C19 138/4885
US-20050112204-A1 Pharmaceutical formulations CYP3A5, CYP51A1, CYP3A43 CYP3A4 13/4885CYP2C9 14/4885CYP2C19 8/4885
US-20160215008-A1 VORICONAZOLE SODIUM PHOSPHATE HYDRATES AND POLYMORPHS THEREOF PIK3C3, WNK3, ERG28 CYP3A4 51/4885CYP2C9 202/4885CYP2C19 168/4885
US-20030144250-A1 Triazole derivatives useful in therapy CYP51A1, THOP1, ERG28 CYP3A4 87/4885CYP2C9 301/4885CYP2C19 202/4885
US-20100249426-A1 STABILIZED PHARMACEUTICAL COMPOSITION ARG1, ERG28, MEN1 CYP3A4 278/4885CYP2C9 179/4885CYP2C19 36/4885
US-20040236105-A1 Triazole derivatives useful in therapy CYP51A1, ERG28, THOP1 CYP3A4 42/4885CYP2C9 227/4885CYP2C19 140/4885

“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.