SCHEMBL12099411

SCHEMBL12099411

Cn1c(C2CC(S(=O)(=O)Oc3cccc(OC(F)(F)F)c3)CCN2C=O)cc2ccc(F)cc21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 1/20 0.33
▸ HSD11B1 P28845 2/20 0.33
▸ SLC6A9 P48067 2/20 0.32
▸ HCRTR1 O43613 3/20 0.31
▸ HCRTR2 O43614 3/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ PIM1 P11309 1/20 0.30
▸ FLT3 P36888 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ PIM3 Q86V86 1/20 0.30
▸ PIM2 Q9P1W9 1/20 0.30

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
SCHEMBL12099616 0.82 CACNA1B (0.38) CACNA1BHSD11B1HCRTR1HCRTR2HTR2A
SCHEMBL12099414 0.77 HSD11B1 (0.46) CACNA1BHSD11B1
SCHEMBL12100616 0.75 METAP1 (0.35) HCRTR1HCRTR2
SCHEMBL1809430 0.67 CACNA1B (0.50) CACNA1BHSD11B1HTR2AHTR6KCNH2
SCHEMBL12099973 0.65 PDE10A (0.36) CACNA1BHTR6FLT3
SCHEMBL12100279 0.64 ELOVL6 (0.38) HTR6FLT3
SCHEMBL12100071 0.63 SLC40A1 (0.48) FLT3
SCHEMBL12100104 0.61 ALDH1A1 (0.43) HCRTR1HCRTR2
SCHEMBL1811520 0.60 CACNA1B (0.50) CACNA1BHSD11B1HTR2AHTR6KCNH2
SCHEMBL12099725 0.60 SCN9A (0.39) PIM1KCNH2

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 2 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

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 17/4885HSD11B1 2985/4885SLC6A9 788/4885

“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.

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