SCHEMBL18624698

SCHEMBL18624698

Cc1cc2nc(-c3ncc(C(F)(F)F)cc3S(C)(=O)=O)n(C)c2cn1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 1/20 0.35
▸ PTGS2 P35354 8/20 0.35
▸ PTGS1 P23219 4/20 0.34
▸ POLB P06746 1/20 0.32
▸ AGBL2 Q5U5Z8 1/20 0.32
▸ ALOX5AP P20292 1/20 0.32
▸ FEN1 P39748 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ NR1H2 P55055 1/20 0.31
▸ NR1H3 Q13133 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LRRK2 Q5S007 1/20 0.31

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
SCHEMBL16389671 0.90 PTGS2 (0.35) PDE2APTGS2PTGS1
SCHEMBL18624700 0.89 POLB (0.35) POLBAGBL2ALOX5APFEN1NPC1
SCHEMBL18624694 0.81 RAB9A (0.46) POLBNPC1PKMRAB9ASMN1; SMN2
SCHEMBL17342177 0.80 POLB (0.43) PDE2APTGS2PTGS1POLBALOX5AP
SCHEMBL17018436 0.79 POLB (0.35) POLBAGBL2NPC1RAB9ASMN1; SMN2
SCHEMBL18624690 0.79 SMN1; SMN2 (0.34) POLBAGBL2NPC1PKMRAB9A
SCHEMBL16389599 0.78 POLB (0.34) POLBAGBL2ALOX5APFEN1LRRK2
SCHEMBL21925089 0.78 S1PR1 (0.32) PTGS2PTGS1POLBAGBL2FEN1
SCHEMBL20610184 0.78 POLB (0.34) POLBAGBL2ALOX5APFEN1LRRK2
SCHEMBL15929742 0.78 POLB (0.41) PDE2APTGS2PTGS1POLBALOX5AP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170073342-A1 2-(HET)ARYL-SUBSTITUTED FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2017-03-16 — — 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-20170073342-A1 2-(HET)ARYL-SUBSTITUTED FUSED BICYCLIC HETEROCYCLE DERIVATIVES AS PESTICIDES CYP1B1, CYP4B1, CYP8B1 PDE2A 1291/4885PTGS2 233/4885PTGS1 415/4885

“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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