SCHEMBL3544782

SCHEMBL3544782

C=CC(=O)NCc1ccc(Cl)c(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.52
TGM2 P21980 1/20 0.50
TRPV1 Q8NER1 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
IDO1 P14902 2/20 0.46
KDR P35968 1/20 0.46
NR3C1 P04150 2/20 0.45
EPHX2 P34913 1/20 0.45
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45
AURKB Q96GD4 1/20 0.45
SCN3A Q9NY46 1/20 0.44
TEK Q02763 1/20 0.44

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
SCHEMBL15682792 0.84 P2RX7 (0.57) P2RX7TRPV1CA1CA2CA7
SCHEMBL8104937 0.82 TSHR (0.61) TGM2TRPV1EPHX2
SCHEMBL22537452 0.81 P2RX7 (0.58) P2RX7TRPV1CA1CA2CA7
SCHEMBL30791532 0.81 P2RX7 (0.58) P2RX7TRPV1CA1CA2CA7
SCHEMBL900308 0.80 RXRA (0.50) TGM2
SCHEMBL15668444 0.80 P2RX7 (0.57) P2RX7TRPV1CA1CA2CA7
SCHEMBL15668150 0.80 P2RX7 (0.54) P2RX7TRPV1CA1CA2CA7
SCHEMBL15682964 0.79 CA1 (0.57) P2RX7TRPV1CA1CA2CA7
SCHEMBL7927014 0.79 P2RX7 (0.58) P2RX7TRPV1CA1CA2CA7
SCHEMBL15682771 0.79 P2RX7 (0.56) P2RX7TRPV1CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652041-B2 4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridino-2-carboxamido: N-methyl-4-[4-(3-oxo-3-{[3-(trifluoromethyl)phenyl]amino}propyl)phenoxy]pyridine-2-carboxamide: Raf-kinase inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-01-26 US disclosed
US-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-07-20 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-20060160803-A1 Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity MAP3K21, HIPK4, MAP3K20 P2RX7 1466/4885TGM2 4388/4885TRPV1 710/4885

“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.