SCHEMBL17172245

SCHEMBL17172245

COCc1ccc(-c2ccc(C(O)(c3cncnc3)C(C)(C)C)nc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 4/20 0.33
▸ ADAMTS4 O75173 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ NAAA Q02083 1/20 0.32
▸ ALOX5AP P20292 1/20 0.31
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ ERN1 O75460 1/20 0.30
▸ CYP19A1 P11511 3/20 0.30
▸ MAP4K1 Q92918 1/20 0.30

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
SCHEMBL20052093 0.88 SYK (0.32) SYK
SCHEMBL17172233 0.84 CYP19A1 (0.42) ALOX5APCYP19A1
SCHEMBL17185801 0.83 WNT3A (0.32) ALOX5APCYP19A1
SCHEMBL17172248 0.83 CYP19A1 (0.37) ALOX5APCYP19A1
SCHEMBL17185808 0.82 KDM4E (0.33) —
SCHEMBL17172276 0.82 SLC22A12 (0.37) SYK
SCHEMBL17196173 0.82 CYP19A1 (0.47) ALOX5APCYP19A1
SCHEMBL17172249 0.82 ATM (0.41) CYP19A1
SCHEMBL17172208 0.82 CYP19A1 (0.47) CYP19A1
SCHEMBL17172234 0.82 KIF11 (0.43) ALOX5APCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

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-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM SYK 2085/4885ADAMTS4 464/4885PTGS2 1412/4885

“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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