SCHEMBL2700570

SCHEMBL2700570

CCC(C(N)=O)c1ncccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 16/20 0.43
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
CTNNB1 P35222 1/20 0.38
WNT3A P56704 1/20 0.38
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38

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
SCHEMBL896615 0.87 AKR1C3 (0.46) TRPM8AKR1C3AKR1C2
SCHEMBL27659750 0.79 TRPM8 (0.43) TRPM8CTNNB1WNT3A
SCHEMBL666127 0.79 PLAU (0.40) MAPK1CTNNB1WNT3A
Bromide SCHEMBL27659823 0.78 TRPM8 (0.42) TRPM8CTNNB1WNT3A
SCHEMBL4162406 0.78 TRPM8 (0.37) TRPM8
SCHEMBL3954421 0.78 DPP8 (0.39)
SCHEMBL2699407 0.76 CNR2 (0.44) POLBMAPK1AKR1C3AKR1C2
SCHEMBL4036425 0.75 PLAU (0.44) POLBMAPK1
SCHEMBL14519455 0.75 TRPM8 (0.42) TRPM8POLBMAPK1CTNNB1WNT3A
SCHEMBL895488 0.74 ALDH1A1 (0.44) TRPM8POLB

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
US-8168668-B2 Compounds ASTRAZENECA AB (SE) 2012-05-01 US disclosed
US-20100286202-A1 New Compounds ASTRAZENECA AB (SE) 2010-11-11 US disclosed
US-7618993-B2 Compounds ASTRAZENECA AB (SE) 2009-11-17 US disclosed
US-20080171770-A1 Compounds ASTRAZENECA AB (SE) 2008-07-17 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-20100286202-A1 New Compounds REN, PCSK9, FURIN TRPM8 352/4885POLB 2337/4885MAPK1 3756/4885
US-20080171770-A1 Compounds REN, PCSK9, SLC10A1 TRPM8 336/4885POLB 2234/4885MAPK1 3790/4885

“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.