SCHEMBL17077939

SCHEMBL17077939

Cc1cc(C)c(C(=O)CCl)s1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.52
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
HPGD P15428 1/20 0.35
PKM P14618 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DAO P14920 1/20 0.33

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
SCHEMBL26242811 0.82 ALOX15 (0.37) GSK3BALDH1A1MAPK1NPSR1LMNA
SCHEMBL3057931 0.77 PKM (0.37) GSK3BALDH1A1MAPK1NPSR1LMNA
SCHEMBL5104631 0.74 PKM (0.52) ALDH1A1MAPK1NPSR1LMNAMAPT
SCHEMBL102004 0.74 ALDH1A1 (0.40) ALDH1A1MAPK1NPSR1LMNAMAPT
SCHEMBL7965972 0.72 IKBKB (0.42) ALDH1A1NPSR1MAPTHPGDPKM
SCHEMBL6788403 0.72 GSK3B (0.70) GSK3BALDH1A1MAPK1HIF1ANPSR1
SCHEMBL18719429 0.71 POLB (0.38) ALDH1A1MAPK1NPSR1LMNAMAPT
SCHEMBL2028240 0.71 ALOX15 (0.61) GSK3BALDH1A1MAPK1NPSR1LMNA
SCHEMBL2027674 0.69 MAPT (0.47) ALDH1A1MAPK1NPSR1LMNAMAPT
SCHEMBL12195825 0.69 NPC1 (0.47) ALDH1A1LMNAMAPTHTTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3116858-B1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC (JP) 2020-11-11 EP disclosed
US-20180339993-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2018-11-29 US disclosed
US-10093678-B2 Azaspiro derivatives as TRPM8 antagonists RAQUALIA PHARMA INC. (JP) 2018-10-09 US disclosed
EP-3116858-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RaQualia Pharma Inc. (JP) 2017-01-18 EP disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 US disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 US disclosed
US-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2017-01-05 US disclosed
WO-2015136947-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2015-09-17 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 (3 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-20170002016-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM5 GSK3B 2725/4885ALDH1A1 2024/4885MAPK1 976/4885
US-10093678-B2 Azaspiro derivatives as TRPM8 antagonists TRPM8, TRPM7, TRPM5 GSK3B 2725/4885ALDH1A1 2024/4885MAPK1 976/4885
US-20180339993-A1 AZASPIRO DERIVATIVES AS TRPM8 ANTAGONISTS TRPM8, TRPM7, TRPM6 GSK3B 2584/4885ALDH1A1 2089/4885MAPK1 1050/4885

“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.