SCHEMBL14685809

SCHEMBL14685809

CCC(CC)c1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.62
CTSS P25774 4/20 0.45
CTSK P43235 3/20 0.45
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
MC4R P32245 1/20 0.37
NOTUM Q6P988 1/20 0.36

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
SCHEMBL12735664 0.81 MC4R (0.43) P2RX7SLC6A4MC4R
SCHEMBL19304383 0.80 IDO1 (0.46) P2RX7CTSSCTSKMC4R
SCHEMBL12716754 0.79 P2RX7 (0.73) P2RX7CTSSCTSKSLC6A2SLC6A4
SCHEMBL15531935 0.76 P2RX7 (0.69) P2RX7CTSSCTSKSLC6A2SLC6A4
SCHEMBL16027856 0.76 P2RX7 (1.00) P2RX7CTSSCTSKSLC6A2SLC6A4
SCHEMBL30991235 0.76 P2RX7 (0.69) P2RX7CTSSCTSKSLC6A2SLC6A4
SCHEMBL8427502 0.76 P2RX7 (0.69) P2RX7CTSSCTSKSLC6A2SLC6A4
SCHEMBL22904343 0.76 P2RX7 (0.69) P2RX7CTSSCTSKSLC6A2SLC6A4
SCHEMBL17835245 0.76 P2RX7 (0.63) P2RX7CTSSCTSKSLC6A2SLC6A4
SCHEMBL28761560 0.76 P2RX7 (0.54) P2RX7CTSSCTSKSLC6A2SLC6A4

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-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-02-07 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-20130035310-A1 Piperidine and Piperazine Phenyl Sulfonamides as Modulators of Ion Channels TRPV1, TRPV5, TRPA1 P2RX7 123/4885CTSS 2263/4885CTSK 2787/4885

“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.