SCHEMBL17895280

SCHEMBL17895280

COc1cc(F)ccc1[C@@H](Oc1ccc(C)cc1Cl)[C@H](C)OC(=O)[C@H](C)NC(=O)c1nccc(OC)c1O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 12/20 0.34
▸ TAS1R3 Q7RTX0 1/20 0.33
▸ TAS1R1 Q7RTX1 1/20 0.33
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ HTT P42858 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MITF O75030 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MET P08581 1/20 0.32
▸ AXL P30530 1/20 0.32
▸ MERTK Q12866 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
SCHEMBL22474186 1.00 CTSA (0.34) CTSATAS1R3TAS1R1NPC1RAB9A
SCHEMBL17895279 1.00 CTSA (0.34) CTSATAS1R3TAS1R1NPC1RAB9A
SCHEMBL17895278 1.00 CTSA (0.34) CTSATAS1R3TAS1R1NPC1RAB9A
SCHEMBL17900727 0.95 TAS1R3 (0.36) CTSATAS1R3TAS1R1NPC1RAB9A
SCHEMBL17900655 0.91 CTSA (0.38) CTSANPC1RAB9AMEN1HTT
SCHEMBL17900681 0.91 TAS1R3 (0.38) CTSATAS1R3TAS1R1NPC1RAB9A
SCHEMBL17895081 0.90 CTSA (0.33) CTSATAS1R3TAS1R1NPC1RAB9A
SCHEMBL17895084 0.90 CTSA (0.33) CTSATAS1R3TAS1R1NPC1RAB9A
SCHEMBL17895080 0.90 CTSA (0.33) CTSATAS1R3TAS1R1NPC1RAB9A
SCHEMBL17895214 0.89 CTSA (0.34) CTSANPC1RAB9AMEN1HTT

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
EP-3255991-B1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2020-09-30 — — EP disclosed
EP-3255991-B1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2020-09-30 — — EP disclosed
US-10173981-B2 Picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2019-01-08 — — US disclosed
US-10173981-B2 Picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2019-01-08 — — US disclosed
US-20180002288-A1 USE OF PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2018-01-04 — — US disclosed
US-20180000080-A1 PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC 2018-01-04 — — US disclosed
EP-3255991-A1 PICOLINAMIDES AS FUNGICIDES Dow Agrosciences LLC (US) 2017-12-20 — — EP disclosed
EP-3240410-A1 USE OF PICOLINAMIDES AS FUNGICIDES Dow Agrosciences LLC (US) 2017-11-08 — — EP disclosed
WO-2016109305-A1 USE OF PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109305-A1 USE OF PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109304-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO disclosed
WO-2016109304-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2016-07-07 — — WO 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-20180000080-A1 PICOLINAMIDES AS FUNGICIDES CYP1A2, CYP4F12, FKBP2 CTSA 2430/4885TAS1R3 1246/4885TAS1R1 1444/4885
US-20180002288-A1 USE OF PICOLINAMIDES AS FUNGICIDES PFAS, CYP1A2, CYP4F12 CTSA 1860/4885TAS1R3 1121/4885TAS1R1 1325/4885
US-10173981-B2 Picolinamides as fungicides CYP1A2, CYP4F12, FKBP2 CTSA 2430/4885TAS1R3 1246/4885TAS1R1 1444/4885

“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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