SCHEMBL3949948

SCHEMBL3949948

C[C@H]1O[C@]1(Cn1cncn1)c1ccc(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.44
CYP2C9 P11712 8/20 0.44
CYP2C19 P33261 6/20 0.44
CYP19A1 P11511 5/20 0.44
CYP11B1 P15538 2/20 0.44
CYP11B2 P19099 2/20 0.44
LMNA P02545 2/20 0.44
HSP90AA1 P07900 2/20 0.44
ADRA1A P35348 1/20 0.44
CYP51A1 Q16850 1/20 0.44
THRB P10828 1/20 0.40
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 2/20 0.38
ABCB11 O95342 1/20 0.38
CYP17A1 P05093 1/20 0.38
PTGS2 P35354 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
CYP8B1 Q9UNU6 1/20 0.38
MAPK1 P28482 2/20 0.37
CYP2B6 P20813 1/20 0.37

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
SCHEMBL31454781 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL3264782 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL8812022 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL300482 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL2346412 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL17777817 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL7989762 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL8574154 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL3955770 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL29858099 1.00 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0667346-A2 Azole antifungal agents, process for the preparation there of and intermediates Eisai Co., Ltd. (JP) 1995-08-16 EP claimed
US-9617241-B2 Intermediate compounds and process for the preparation of efinaconazole MAPI PHARMA LTD. (IL) 2017-04-11 US disclosed
US-7569699-B2 Process for producing epoxytriazole derivative SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-08-04 US disclosed
US-20080081915-A1 Process For Producing Epoxytriazole Derivative SUMITOMO CHEMICAL COMPANY, LIMITED 2008-04-03 US disclosed
EP-0889881-B1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS NAEJA PHARMACEUTICAL INC (CA) 2003-04-23 EP disclosed
US-6153616-A Triazoles as therapeutic agents for fungal infections SYNPHAR LABORATORIES, INC. (CA) 2000-11-28 US disclosed
EP-0889881-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES INC. (CA) 1999-01-13 EP disclosed
WO-1998031675-A1 NEW TRIAZOLES AS THERAPEUTIC AGENTS FOR FUNGAL INFECTIONS SYNPHAR LABORATORIES, INC. (US) 1998-07-23 WO disclosed
EP-0698606-B1 AZOLYLAMINE DERIVATIVE KAKEN PHARMA CO LTD (JP) 1997-12-17 EP disclosed
US-5620994-A FUNGICIDES KAKEN PHARMACEUTICAL CO., LTD. (JP) 1997-04-15 US disclosed
EP-0728752-A1 Triazole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-08-28 EP disclosed
EP-0698606-A1 AZOLYLAMINE DERIVATIVE KAKEN PHARMACEUTICAL CO., LTD. (JP) 1996-02-28 EP disclosed
US-5405861-A Fungicides TAKEDA CHEMICAL INDUSTRIES, CO., LTD. (JP) 1995-04-11 US disclosed
EP-0421210-A2 Triazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-04-10 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 (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-20080081915-A1 Process For Producing Epoxytriazole Derivative CYP2E1, CYP1A1, SULT1A1 CYP3A4 13/4885CYP2C9 109/4885CYP2C19 95/4885

“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.