SCHEMBL3293530

SCHEMBL3293530

N#Cc1c(CNC(=O)O)cccc1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 7/20 0.57
EPHX2 P34913 4/20 0.44
TNKS O95271 6/20 0.43
TNKS2 Q9H2K2 6/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
POLB P06746 1/20 0.40
PPARG P37231 1/20 0.39

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
SCHEMBL3232626 0.80 EPHX2 (0.62) EPHX2CNR1CNR2ALDH1A1GAA
SCHEMBL3294867 0.79 P2RX7 (0.57) P2RX7EPHX2CNR1CNR2POLB
Trifluoroacetic Acid SCHEMBL2581954 0.77 P2RX7 (0.44) P2RX7TNKSTNKS2CYP2C9CYP2C19
SCHEMBL15534698 0.77 P2RX7 (0.44) P2RX7TNKSTNKS2CYP2C9CYP2C19
SCHEMBL20049209 0.76 P2RX7 (0.48) P2RX7TNKSTNKS2CYP2C9CYP2C19
SCHEMBL26101508 0.74 SETDB1 (0.44) P2RX7EPHX2
SCHEMBL26099823 0.74 EPHX2 (0.51) P2RX7EPHX2
SCHEMBL2575857 0.74 P2RX7 (1.00) P2RX7
SCHEMBL2575855 0.74 P2RX7 (1.00) P2RX7
SCHEMBL15534934 0.73 P2RX7 (0.42) P2RX7TNKSTNKS2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049478-B1 SUBSTITUTED N-PHENYLMETHYL -5-OXO-PROLINE-2-AMIDES AS P2X7-RECEPTOR ANTAGONISTS AND THEIR METHODS OF USE GLAXO GROUP LTD (GB) 2012-05-30 EP disclosed
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED 2010-06-10 US disclosed
US-7718693-B2 Receptor antagonists and their methods of use GLAXO GROUP LIMITED (GB) 2010-05-18 US disclosed
US-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use GLAXO GROUP LIMITED (GB) 2008-01-10 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 (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-20080009541-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 P2RX7 1/4885EPHX2 1309/4885TNKS 2213/4885
US-20100144829-A1 Novel Receptor Antagonists and Their Methods of Use P2RX7, P2RX3, P2RX1 P2RX7 1/4885EPHX2 1309/4885TNKS 2213/4885

“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.