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SCHEMBL10034136

SCHEMBL10034136

O=P(O)(OCC(O)CO)OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 17/20 0.53
▸ CYP2C9 P11712 12/20 0.53
▸ CYP2C19 P33261 12/20 0.53
▸ LMNA P02545 2/20 0.53
▸ HSP90AA1 P07900 1/20 0.53
▸ CYP19A1 P11511 1/20 0.53
▸ CYP11B1 P15538 1/20 0.53
▸ CYP11B2 P19099 1/20 0.53
▸ ADRA1A P35348 1/20 0.53
▸ CYP51A1 Q16850 1/20 0.53
▸ CYP2B6 P20813 1/20 0.43
▸ CYP3A5 P20815 1/20 0.43
▸ CYP3A7 P24462 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ CYP3A43 Q9HB55 1/20 0.43
▸ CYP46A1 Q9Y6A2 1/20 0.43
▸ CYP1A2 P05177 6/20 0.43
▸ CYP2D6 P10635 6/20 0.43
▸ KCNH2 Q12809 3/20 0.40
▸ HDAC3 O15379 1/20 0.38

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
SCHEMBL14221883 0.83 CYP3A4 (0.58) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
Fosfluconazole SCHEMBL378428 0.83 CYP3A4 (0.62) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL10034130 0.83 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
Fosfluconazole SCHEMBL27971502 0.82 CYP3A4 (0.61) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
Fosfluconazole SCHEMBL27638104 0.82 CYP3A4 (0.61) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL10066654 0.81 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL14193097 0.81 CYP3A4 (0.60) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL10034138 0.81 CYP3A4 (0.53) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL10296768 0.79 CYP3A4 (0.59) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
Fosfluconazole SCHEMBL5450058 0.79 CYP3A4 (0.59) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120172336-A2 Fosfluconazole Derivatives, Synthesis, and Use in Long Acting Formulations SEPS PHARMA N.V. (BE) 2012-07-05 — — US disclosed
US-20120172336-A2 Fosfluconazole Derivatives, Synthesis, and Use in Long Acting Formulations SEPS PHARMA N.V. (BE) 2012-07-05 — — US disclosed
US-20120010173-A1 Fosfluconazole Derivatives, Synthesis, and Use in Long Acting Formulations SEPS PHARMA N.V. (BE) 2012-01-12 — — US disclosed
US-20120010173-A1 Fosfluconazole Derivatives, Synthesis, and Use in Long Acting Formulations SEPS PHARMA N.V. (BE) 2012-01-12 — — 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 (2 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-20120172336-A2 Fosfluconazole Derivatives, Synthesis, and Use in Long Acting Formulations CYP2F1, CYP51A1, CYP3A5 CYP3A4 9/4885CYP2C9 30/4885CYP2C19 7/4885
US-20120010173-A1 Fosfluconazole Derivatives, Synthesis, and Use in Long Acting Formulations CYP2F1, CYP3A5, CYP51A1 CYP3A4 12/4885CYP2C9 42/4885CYP2C19 6/4885

“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.