SCHEMBL3635567

SCHEMBL3635567

O=C(O)c1nc2ccc(OC(F)(F)F)cc2s1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
SCN4A P35499 2/20 0.61
SCN9A Q15858 2/20 0.61
GMNN O75496 1/20 0.61
USP2 O75604 1/20 0.61
LMNA P02545 1/20 0.61
TP53 P04637 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
GAA P10253 1/20 0.61
CYP2C9 P11712 1/20 0.61
PKM P14618 1/20 0.61
ALOX15 P16050 1/20 0.61
NFKB1 P19838 1/20 0.61
SLC6A2 P23975 1/20 0.61
BLM P54132 1/20 0.61
PMP22 Q01453 1/20 0.61
SLC6A3 Q01959 1/20 0.61

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
SCHEMBL3639457 0.89 PPARA (0.48) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL28919878 0.87 DYRK1A (0.67) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL3086757 0.87 NPC1 (0.63) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL22746026 0.83 MAPT (0.58) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL3590086 0.82 DYRK1A (0.54) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL3634489 0.81 HSD17B1 (0.63) NPC1RAB9ALMNACYP1A2CYP3A4
SCHEMBL29772981 0.81 DYRK1A (0.50) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL18154178 0.80 DYRK1A (0.79) NPC1RAB9ASCN4ASCN9AGMNN
Riluzole SCHEMBL4443848 0.80 RAB9A (0.82) NPC1RAB9ASCN4ASCN9AGMNN
SCHEMBL2665688 0.79 NPC1 (0.68) NPC1RAB9ASCN4ASCN9AGMNN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP claimed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US claimed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO claimed
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP disclosed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US disclosed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 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 (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-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 NPC1 1069/4885RAB9A 3569/4885SCN4A 1215/4885

“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.