Sugi Predict

Sugi Predict / Compounds / SCHEMBL8718853

SCHEMBL8718853

SCHEMBL8718853

Fc1ccc([C@@]2(Cn3cncn3)CO2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 12/20 0.48
▸ CYP2C9 P11712 9/20 0.48
▸ CYP2C19 P33261 7/20 0.47
▸ CYP19A1 P11511 5/20 0.47
▸ CYP11B1 P15538 2/20 0.47
▸ CYP11B2 P19099 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ ADRA1A P35348 1/20 0.47
▸ CYP51A1 Q16850 1/20 0.47
▸ CYP1A2 P05177 4/20 0.44
▸ CYP2D6 P10635 3/20 0.44
▸ THRB P10828 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ CYP17A1 P05093 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ CYP8B1 Q9UNU6 1/20 0.42
▸ KMT2A Q03164 1/20 0.38
▸ CYP2B6 P20813 1/20 0.36

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
SCHEMBL30121613 1.00 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL8718832 1.00 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL75025 1.00 CYP3A4 (0.48) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
Methane SCHEMBL7967605 0.99 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL13916324 0.91 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL9198691 0.91 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL7639548 0.91 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL28002097 0.91 CYP3A4 (0.43) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL12186485 0.88 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19CYP19A1CYP11B1
SCHEMBL12186494 0.88 CYP3A4 (0.42) 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0775121-A1 PROCESS FOR PREPARING AN ANTIFUNGAL AZOLE WITH HYDRAZINO AND AMIDRAZONE INTERMEDIATES ZENECA LIMITED (GB) 1997-05-28 — — EP claimed
WO-1996004256-A1 PROCESS FOR PREPARING AN ANTIFUNGAL AZOLE WITH HYDRAZINO AND AMIDRAZONE INTERMEDIATES ZENECA LIMITED (GB) 1996-02-15 — — WO claimed
WO-2023173717-A1 PREPARATION METHOD FOR INTERMEDIATE COMPOUND ACTING AS SYNTHETIC POSACONAZOLE, AND INTERMEDIATE COMPOUND PREPARED THEREBY 浙江奥翔药业股份有限公司 2023-09-21 — — WO disclosed
US-9447082-B2 Optically active fluconazole analogues containing thiophenes as antifungal agents FDC LIMITED (IN) 2016-09-20 — — US disclosed
US-9447082-B2 Optically active fluconazole analogues containing thiophenes as antifungal agents FDC LIMITED (IN) 2016-09-20 — — US disclosed
US-9181269-B2 Enantiomers of fluconazole analogues containing thieno-[2,-3-D]pyrimidin-4(3H)-one moiety as antifungal agents FDC LIMITED (IN) 2015-11-10 — — US disclosed
US-20140249194-A1 OPTICALLY ACTIVE FLUCONAZOLE ANALOGUES CONTAINING THIOPHENES AS ANTIFUNGAL AGENTS FDC LIMITED (IN) 2014-09-04 — — US disclosed
US-20140249194-A1 OPTICALLY ACTIVE FLUCONAZOLE ANALOGUES CONTAINING THIOPHENES AS ANTIFUNGAL AGENTS FDC LIMITED (IN) 2014-09-04 — — US disclosed
WO-2014117318-A1 NOVEL TRIAZOLE ANTIFUNGAL COMPOUNDS, AND PHARMACEUTICAL COMPOSITION, PREPARATION METHOD, AND APPLICATION THEREOF 中国科学院上海药物研究所 (CN) 2014-08-07 — — WO disclosed
EP-2709625-A1 ENANTIOMERS OF FLUCONAZOLE ANALOGUES CONTAINING THIENO-[2,3-D] PYRIMIDIN-4(3H)-ONE MOIETY AS ANTIFUNGAL AGENTS FDC Limited (IN) 2014-03-26 — — EP disclosed
US-20140011818-A1 ENANTIOMERS OF FLUCONAZOLE ANALOGUES CONTAINING THIENO-[2,-3-D]PYRIMIDIN-4(3H)-ONE MOIETY AS ANTIFUNGAL AGENTS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2014-01-09 — — US disclosed
WO-2012123952-A1 ENANTIOMERS OF FLUCONAZOLE ANALOGUES CONTAINING THIENO-[2,3-D]PYRIMIDIN-4(3H)-ONE MOIETY AS ANTIFUNGAL AGENTS FDC LIMITED (IN) 2012-09-20 — — WO disclosed
EP-0567982-B1 Azole compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 — — EP disclosed
EP-0775122-A1 CRYSTALLINE FORM OF AN ANTIFUNGAL AZOLE ZENECA LIMITED (GB) 1997-05-28 — — EP disclosed
WO-1996004257-A1 CRYSTALLINE FORM OF AN ANTIFUNGAL AZOLE ZENECA LIMITED (GB) 1996-02-15 — — WO disclosed
US-5466820-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-11-14 — — US disclosed
US-5371101-A Fungicides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-06 — — US disclosed
EP-0567982-A1 Azole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1993-11-03 — — 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 (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-20140249194-A1 OPTICALLY ACTIVE FLUCONAZOLE ANALOGUES CONTAINING THIOPHENES AS ANTIFUNGAL AGENTS CYP3A4, CYP4B1, CBR1 CYP3A4 1/4885CYP2C9 39/4885CYP2C19 22/4885
US-20140011818-A1 ENANTIOMERS OF FLUCONAZOLE ANALOGUES CONTAINING THIENO-[2,-3-D]PYRIMIDIN-4(3H)-ONE MOIETY AS ANTIFUNGAL AGENTS ERG28, CYP51A1, CYP4B1 CYP3A4 12/4885CYP2C9 25/4885CYP2C19 5/4885

“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.