SCHEMBL4989343

SCHEMBL4989343

NC(=O)c1n[c]c2c(n1)CN(S(=O)(=O)c1cccc(OC(F)(F)F)c1)CC2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 10/20 0.44
SCN9A Q15858 1/20 0.42
KDM2B Q8NHM5 1/20 0.40
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
KAT6A Q92794 1/20 0.36
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
AKR1C1 Q04828 2/20 0.35
LIPE Q05469 1/20 0.35
SLC40A1 Q9NP59 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
SCHEMBL4985224 0.90 AKR1C3 (0.42) AKR1C3SCN9ALIPE
SCHEMBL4988175 0.88 AKR1C3 (0.47) AKR1C3KDM2BGAAALDH1A1LMNA
SCHEMBL4987057 0.86 LMNA (0.44) AKR1C3GAALMNA
SCHEMBL4985140 0.83 FAAH (0.41) AKR1C3SCN9AGAAALDH1A1LMNA
SCHEMBL4988448 0.82 MEN1 (0.45) AKR1C3GAAALDH1A1AKR1C1
SCHEMBL4986174 0.82 PKM (0.46) AKR1C3GAALMNAAKR1C1
SCHEMBL4988090 0.81 CHRM1 (0.42) AKR1C3KDM2BALDH1A1LIPESLC40A1
SCHEMBL4987925 0.81 HDAC6 (0.44) AKR1C3GAAALDH1A1
SCHEMBL4985522 0.81 HSD11B1 (0.44)
SCHEMBL4982841 0.80 LMNA (0.39) AKR1C3KDM2BALDH1A1LMNA

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof RENOVIS, INC. 2008-02-14 US claimed

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-20080039478-A1 Bicycloheteroaryl Compounds as P2X7 Modulators and Uses Thereof P2RX7, P2RX3, P2RX2 AKR1C3 1419/4885SCN9A 2164/4885KDM2B 4316/4885

“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.