SCHEMBL17900787

SCHEMBL17900787

COc1ccnc(C(=O)N[C@@H](C)C(=O)O[C@@H](C)[C@H](Oc2ccc(C)cc2Cl)c2ccc(C)cc2)c1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 2/20 0.42
▸ TAS1R1 Q7RTX1 2/20 0.42
▸ ADAMTS5 Q9UNA0 3/20 0.36
▸ SLC2A1 P11166 1/20 0.36
▸ NPC1 O15118 4/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ HTT P42858 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ LMNA P02545 5/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HSP90AA1 P07900 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ MITF O75030 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ TP53 P04637 2/20 0.34
▸ THRB P10828 1/20 0.34

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
SCHEMBL17900681 0.95 TAS1R3 (0.38) TAS1R3TAS1R1ADAMTS5SLC2A1NPC1
SCHEMBL17900784 0.95 TAS1R3 (0.37) TAS1R3TAS1R1ADAMTS5SLC2A1NPC1
SCHEMBL17900727 0.92 TAS1R3 (0.36) TAS1R3TAS1R1ADAMTS5SLC2A1NPC1
SCHEMBL17900575 0.88 NR3C1 (0.36) TAS1R3TAS1R1ADAMTS5SLC2A1MEN1
SCHEMBL17900723 0.87 CRHBP (0.38) NPC1RAB9AMEN1HTTKMT2A
SCHEMBL17900717 0.87 CRHBP (0.38) NPC1RAB9AMEN1HTTKMT2A
SCHEMBL17895280 0.87 CTSA (0.34) TAS1R3TAS1R1NPC1RAB9AMEN1
SCHEMBL17895279 0.87 CTSA (0.34) TAS1R3TAS1R1NPC1RAB9AMEN1
SCHEMBL22474186 0.87 CTSA (0.34) TAS1R3TAS1R1NPC1RAB9AMEN1
SCHEMBL17895278 0.87 CTSA (0.34) TAS1R3TAS1R1NPC1RAB9AMEN1

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 4 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
US-10173981-B2 Picolinamides as fungicides DOW AGROSCIENCES LLC (US) 2019-01-08 — — US 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

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-10173981-B2 Picolinamides as fungicides CYP1A2, CYP4F12, FKBP2 TAS1R3 1246/4885TAS1R1 1444/4885ADAMTS5 1798/4885

“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.

Send feedback