SCHEMBL17157419

SCHEMBL17157419

OC(CC1CC1)(c1cncnc1)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cn1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 6/20 0.37
▸ MMP9 P14780 6/20 0.37
▸ MMP14 P50281 1/20 0.37
▸ GRIN2B Q13224 2/20 0.35
▸ ABL1 P00519 8/20 0.34
▸ CCR6 P51684 1/20 0.34
▸ MMP1 P03956 2/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33

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
SCHEMBL17172180 0.85 CCR6 (0.38) MMP2MMP9MMP14ABL1CCR6
SCHEMBL17172168 0.82 CYP19A1 (0.46) MMP2MMP9MMP14GRIN2BABL1
SCHEMBL17172172 0.81 ABL1 (0.33) MMP2MMP9MMP14ABL1CCR6
SCHEMBL17185795 0.79 MMP2 (0.37) MMP2MMP9MMP14GRIN2BABL1
SCHEMBL17172193 0.78 ABL1 (0.35) MMP2MMP9MMP14GRIN2BABL1
SCHEMBL17172165 0.76 ABL1 (0.36) MMP2MMP9MMP14ABL1CCR6
SCHEMBL17172182 0.74 CYP19A1 (0.41) MMP2MMP9MMP14CYP3A4CYP19A1
SCHEMBL17172179 0.74 ABL1 (0.36) ABL1CCR6CYP3A4CYP2C9CYP2C19
SCHEMBL20596700 0.74 CYP3A4 (0.45) ABL1CCR6CYP3A4CYP2C9CYP2C19
SCHEMBL17157316 0.74 CYP3A4 (0.45) ABL1CCR6CYP3A4CYP2C9CYP2C19

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 MMP2 211/4885MMP9 151/4885MMP14 268/4885
US-20150291632-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM MMP2 211/4885MMP9 151/4885MMP14 268/4885
US-20180298038-A1 METALLOENZYME INHIBITOR COMPOUNDS AS FUNGICIDES GPX1, POR, MGAM MMP2 211/4885MMP9 151/4885MMP14 268/4885

“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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