SCHEMBL17432178

SCHEMBL17432178

CCS(=O)(=O)c1cc(-c2ccc(CC(C)C)cc2)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 13/20 0.36
▸ S1PR1 P21453 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ USP1 O94782 1/20 0.34
▸ DHODH Q02127 1/20 0.33
▸ ALOX5 P09917 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ PTGS2 P35354 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
SCHEMBL17432172 0.89 KCNH2 (0.45) RORCKCNH2PTGS1PTGS2
SCHEMBL18926499 0.88 KCNH2 (0.38) RORCKCNH2PTGS1PTGS2
SCHEMBL17432135 0.88 RORC (0.39) RORCKCNH2PTGS1PTGS2
SCHEMBL19366898 0.88 KCNH2 (0.43) RORCKCNH2PTGS1PTGS2
SCHEMBL18934295 0.88 KCNH2 (0.39) RORCKCNH2PTGS1PTGS2
SCHEMBL18926506 0.88 KCNH2 (0.37) RORCKCNH2USP1DHODHPTGS1
SCHEMBL17422648 0.88 PTGS2 (0.38) RORCKCNH2USP1PTGS1PTGS2
SCHEMBL17432154 0.87 DHODH (0.39) RORCS1PR1KCNH2USP1DHODH
SCHEMBL18926510 0.87 USP1 (0.35) RORCS1PR1KCNH2USP1PTGS2
SCHEMBL19366970 0.87 KCNH2 (0.36) RORCKCNH2PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170354151-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-14 — — US disclosed
US-20170354151-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-12-14 — — US disclosed
US-9775353-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2017-10-03 — — US disclosed
US-9775353-B2 Pesticidally active heterocyclic derivatives with sulphur containing substituents SYNGENTA PARTICIPATIONS AG (CH) 2017-10-03 — — US disclosed
US-20170156329-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-06-08 — — US disclosed
US-20170156329-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2017-06-08 — — US disclosed
WO-2016005263-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-14 — — 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 (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-20170156329-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 RORC 2062/4885S1PR1 2522/4885KCNH2 1460/4885
US-20170354151-A1 PESTICIDALLY ACTIVE HETEROCYCLIC DERIVATIVES WITH SULPHUR CONTAINING SUBSTITUENTS DDT, ACHE, GSTM1 RORC 2103/4885S1PR1 2265/4885KCNH2 1902/4885

“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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