SCHEMBL17157445

SCHEMBL17157445

CC(F)(F)c1ccc(-c2ccc(C(O)(c3cncnc3)C(C)(C)C)nc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 13/20 0.38
▸ GCK P35557 1/20 0.36
▸ GCKR Q14397 1/20 0.36
▸ ALOX5AP P20292 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ DGAT1 O75907 1/20 0.32
▸ KIF11 P52732 1/20 0.32
▸ MAP4K4 O95819 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ MINK1 Q8N4C8 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL17172235 0.92 CYP19A1 (0.47) CYP19A1GCKGCKRCYP3A4KIF11
SCHEMBL17172244 0.89 PIK3CA (0.39) CYP19A1MAP4K4PIK3CAKCNH2MINK1
SCHEMBL17172234 0.89 KIF11 (0.43) CYP19A1ALOX5APDGAT1KIF11
SCHEMBL17172250 0.88 CYP19A1 (0.46) CYP19A1CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL17172248 0.87 CYP19A1 (0.37) CYP19A1ALOX5APCYP3A4DGAT1KIF11
SCHEMBL17157418 0.86 NR1H2 (0.34) CYP19A1GCKGCKRALOX5APCYP3A4
SCHEMBL17171871 0.86 CYP19A1 (0.40) CYP19A1GCKGCKRCYP3A4MAP4K4
SCHEMBL17196173 0.86 CYP19A1 (0.47) CYP19A1ALOX5APDGAT1KIF11
SCHEMBL17172249 0.86 ATM (0.41) CYP19A1CYP3A4CYP2C9DGAT1KIF11
SCHEMBL17172208 0.86 CYP19A1 (0.47) CYP19A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10167300-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2019-01-01 — — US disclosed
US-10167300-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2019-01-01 — — US disclosed
US-20180298038-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-10-18 — — US disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 — — US disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 — — US disclosed
US-9944664-B2 Metalloenzyme inhibitor compounds as fungicides DOW AGROSCIENCES LLC (US) 2018-04-17 — — US disclosed
EP-3131399-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES Dow AgroSciences LLC (US) 2017-02-22 — — EP disclosed
WO-2015160665-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-10-22 — — WO disclosed
WO-2015160665-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2015-10-22 — — WO disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — US disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — US disclosed
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES DOW AGROSCIENCES LLC 2015-10-15 — — 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 (3 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-10167300-B2 Metalloenzyme inhibitor compounds as fungicides GPX1, POR, MGAM CYP19A1 63/4885GCK 1932/4885GCKR 2220/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM CYP19A1 63/4885GCK 1932/4885GCKR 2220/4885
US-20180298038-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM CYP19A1 63/4885GCK 1932/4885GCKR 2220/4885

“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.

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