SCHEMBL2135503

SCHEMBL2135503

CCOC(=O)C1CC1c1cccc(OC(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
SLC9A1 P19634 1/20 0.44
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
TSHR P16473 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ATM Q13315 1/20 0.39
HCRTR1 O43613 2/20 0.39
HCRTR2 O43614 2/20 0.39
GPR88 Q9GZN0 1/20 0.39
EPHX2 P34913 1/20 0.37
MAP3K5 Q99683 1/20 0.37

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
SCHEMBL2135509 1.00 ALDH1A1 (0.45) ALDH1A1SLC9A1MAPTPKMTSHR
SCHEMBL29879459 0.86 SLC9A1 (0.60) ALDH1A1SLC9A1MAPTTSHRLMNA
SCHEMBL15805120 0.86 SLC9A1 (0.60) ALDH1A1SLC9A1MAPTTSHRLMNA
SCHEMBL1208046 0.86 SLC9A1 (0.60) ALDH1A1SLC9A1MAPTTSHRLMNA
SCHEMBL8066730 0.86 SLC9A1 (0.60) ALDH1A1SLC9A1MAPTTSHRLMNA
SCHEMBL4140870 0.82 ALDH1A1 (0.47) ALDH1A1MAPTPKMLMNAGPR88
SCHEMBL14549989 0.82 ALDH1A1 (0.47) ALDH1A1MAPTPKMLMNAGPR88
SCHEMBL2136313 0.81 SLC9A1 (0.47) ALDH1A1SLC9A1KMT2AATMGPR88
SCHEMBL2136314 0.81 SLC9A1 (0.47) ALDH1A1SLC9A1KMT2AATMGPR88
SCHEMBL6081536 0.81 MAPT (0.47) ALDH1A1SLC9A1MAPTPKMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435407-B1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2019-12-25 EP disclosed
US-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 US disclosed
US-9101616-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2015-08-11 US disclosed
US-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 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-20120101105-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H ALDH1A1 2895/4885SLC9A1 148/4885MAPT 2691/4885
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H ALDH1A1 2882/4885SLC9A1 149/4885MAPT 2659/4885

“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.