SCHEMBL17048588

SCHEMBL17048588

O=C(O)c1cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.72
RXRB P28702 7/20 0.72
RXRG P48443 5/20 0.72
CES2 O00748 1/20 0.59
DHODH Q02127 1/20 0.50
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
SRD5A2 P31213 2/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
P2RY14 Q15391 3/20 0.46
SLC6A2 P23975 1/20 0.44
P2RX1 P51575 1/20 0.43
GAA P10253 1/20 0.43
AURKA O14965 1/20 0.42
TPX2 Q9ULW0 1/20 0.42

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
SCHEMBL3082270 0.96 RXRA (0.72) RXRARXRBRXRGCES2DHODH
SCHEMBL503980 0.91 CES2 (0.70) RXRARXRBRXRGCES2AKR1C3
SCHEMBL28119413 0.89 CES2 (0.67) RXRARXRBRXRGCES2AKR1C3
Hydrochloric Acid SCHEMBL7485970 0.89 CES2 (0.67) RXRARXRBRXRGCES2AKR1C3
SCHEMBL30469526 0.89 RXRA (0.74) RXRARXRBRXRGDHODHSRD5A2
SCHEMBL121358 0.89 RXRA (0.69) RXRARXRBRXRGDHODHSRD5A2
SCHEMBL25560565 0.89 RXRA (0.74) RXRARXRBRXRGDHODHSRD5A2
SCHEMBL16809141 0.87 RXRA (0.62) RXRARXRBRXRGCES2DHODH
SCHEMBL545011 0.87 CES2 (0.62) RXRARXRBRXRGCES2DHODH
SCHEMBL21462308 0.86 RXRA (0.70) RXRARXRBRXRGCES2DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
US-11236078-B2 Heterocyclic inhibitors of the sodium channel DeGiacomo, Mark G. (US) 2022-02-01 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
US-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL DeGiacomo, Mark G. (US) 2017-05-25 US disclosed
WO-2015130957-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals, Ltd. (US) 2015-09-03 WO disclosed
WO-2015130957-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL Zalicus Pharmaceuticals, Ltd. (US) 2015-09-03 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 (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-20170145003-A1 HETEROCYCLIC INHIBITORS OF THE SODIUM CHANNEL SCN1B, SCN1A, CACNA1S RXRA 4171/4885RXRB 3905/4885RXRG 3806/4885
US-11236078-B2 Heterocyclic inhibitors of the sodium channel SCN1B, TRPM6, SCN1A RXRA 4145/4885RXRB 3875/4885RXRG 3651/4885

“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.