SCHEMBL18335143

SCHEMBL18335143

CC(NC(=O)OC(C)(C)C)C(OCc1ccccc1)c1ncc(C#CC2CC2)cc1Cl

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 3/20 0.39
▸ CTSS P25774 1/20 0.36
▸ PPARA Q07869 1/20 0.35
▸ YAP1 P46937 3/20 0.35
▸ KLK7 P49862 3/20 0.35
▸ KLK5 Q9Y337 2/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ BCL2 P10415 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ CTSL P07711 2/20 0.35
▸ PTPN1 P18031 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
SCHEMBL18335145 0.85 NR3C1 (0.35) PTGESS1PR3
SCHEMBL18335060 0.84 PTGES (0.37) PTGES
SCHEMBL18335153 0.82 TRPA1 (0.36) PTGESS1PR3
SCHEMBL18335078 0.78 EGLN1 (0.39) PTGES
SCHEMBL18335135 0.75 EGLN1 (0.40) PTGES
SCHEMBL18335169 0.74 EGLN1 (0.40) PTGES
SCHEMBL18335084 0.73 EGLN1 (0.38) PTGES
SCHEMBL18335062 0.71 EGLN1 (0.41) —
SCHEMBL18335116 0.67 EGLN1 (0.39) PTGES
SCHEMBL18335091 0.67 P2RX7 (0.41) PTGESCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029986-B2 Alkynyl pyridine-substituted amide compound and pesticide NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-07-24 — — US disclosed
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-01-12 — — US disclosed
EP-3109234-A1 ALKYNYLPYRIDINE-SUBSTITUTED AMIDE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2016-12-28 — — EP 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 (2 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-10029986-B2 Alkynyl pyridine-substituted amide compound and pesticide CHRM1, CHRM2, CHRM3 PTGES 3364/4885CTSS 2226/4885PPARA 2314/4885
US-20170008847-A1 ALKYNYL PYRIDINE-SUBSTITUTED AMIDE COMPOUND AND PESTICIDE CHRM1, CHRM2, CHRM3 PTGES 3364/4885CTSS 2226/4885PPARA 2314/4885

“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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