SCHEMBL10064488

SCHEMBL10064488

CC(C#N)(COc1cc(C#N)ccc1Oc1ccc(OC(F)(F)F)cc1Cl)NC(=O)c1ccc(S(F)(F)(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 2/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
DDR1 Q08345 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HRH1 P35367 1/20 0.36
FNTB P49356 1/20 0.36
CNR1 P21554 3/20 0.35
MRGPRX4 Q96LA9 3/20 0.35
MCHR1 Q99705 1/20 0.34
TBXA2R P21731 1/20 0.34
FFAR1 O14842 1/20 0.34
ALDH1A1 P00352 1/20 0.34
AR P10275 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
SCHEMBL12096570 0.94 PTGDR (0.42) PTGDRPTGDR2PPARDPPARADDR1
SCHEMBL12096575 0.94 PTGDR (0.42) PTGDRPTGDR2PPARDPPARADDR1
SCHEMBL12096613 0.94 PTGDR (0.42) PTGDRPTGDR2PPARDPPARADDR1
SCHEMBL12096590 0.90 PTGDR (0.41) PTGDRPTGDR2PPARDPPARADDR1
SCHEMBL12096600 0.90 PTGDR (0.41) PTGDRPTGDR2PPARDPPARADDR1
SCHEMBL2638919 0.90 TRPV1 (0.43) PTGDRPTGDR2DDR1SIGMAR1HRH1
SCHEMBL12096585 0.89 KCNK2 (0.40) PTGDRPTGDR2PPARDPPARADDR1
SCHEMBL12096635 0.88 PTGDR (0.38) PTGDRPTGDR2PPARDPPARADDR1
SCHEMBL1548431 0.86 MRGPRX4 (0.45) PTGDRPTGDR2PPARDPPARADDR1
SCHEMBL15196455 0.85 ALDH1A1 (0.35) MRGPRX4ALDH1A1

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
EP-2373162-B1 AMIDOACETONITRILE COMPOUNDS AND PESTICIDAL COMPOSITION THEREOF NOVARTIS AG (CH) 2013-08-14 EP disclosed
US-8168681-B2 Amidoacetonitrile compounds and pesticidal composition thereof NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20110230563-A1 AMIDOACETONITRILE COMPOUNDS AND PESTICIDAL COMPOSITION THEREOF NOVARTIS AG 2011-09-22 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 (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-20110230563-A1 AMIDOACETONITRILE COMPOUNDS AND PESTICIDAL COMPOSITION THEREOF NAAA, PTMS, NIT2 PTGDR 3120/4885PTGDR2 3228/4885PPARD 994/4885

“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.