SCHEMBL1808102

SCHEMBL1808102

O=C(O)N1CCC(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 4/20 0.48
▸ NOTUM Q6P988 1/20 0.47
▸ HSD11B1 P28845 1/20 0.46
▸ AKR1C3 P42330 1/20 0.46
▸ MGLL Q99685 2/20 0.45
▸ KAT6A Q92794 1/20 0.44
▸ PKLR P30613 1/20 0.42
▸ LIPE Q05469 1/20 0.42
▸ RORC P51449 1/20 0.42
▸ SPR P35270 1/20 0.42
▸ KDM2B Q8NHM5 1/20 0.41
▸ ELOVL6 Q9H5J4 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ SCN9A Q15858 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39

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
SCHEMBL1807148 0.85 GPR119 (0.51) CACNA1B
SCHEMBL1807395 0.85 MMP2 (0.49) HSD11B1MGLLLIPEEPHX2HTR2A
SCHEMBL12099936 0.82 NOTUM (0.40) CACNA1BNOTUMHSD11B1AKR1C3KAT6A
SCHEMBL1498303 0.81 CNR1 (0.51) CACNA1BELOVL6
SCHEMBL1809004 0.81 KAT6A (0.44) KAT6ASPRHTR2A
SCHEMBL27900248 0.80 TGFBR1 (0.54) MGLLPKLR
SCHEMBL1807553 0.80 SCN9A (0.47) CACNA1BHSD11B1AKR1C3MGLLSCN9A
SCHEMBL13873701 0.79 CHRM4 (0.50) CACNA1BPKLREPHX2SCN9AHTR2A
SCHEMBL1809658 0.79 SLC40A1 (0.51) CACNA1BHSD11B1AKR1C3MGLLPKLR
SCHEMBL1810444 0.79 AKR1C3 (0.44) CACNA1BHSD11B1AKR1C3MGLLPKLR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 — — 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 (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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B CACNA1B 17/4885NOTUM 4164/4885HSD11B1 2985/4885

“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.

Send feedback