SCHEMBL12100616

SCHEMBL12100616

O=CN1CCC(S(=O)(=O)Oc2cccc(OC(F)(F)F)c2)CC1c1ccc2cccc(O)c2n1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ METAP1 P53582 4/20 0.35
▸ MGLL Q99685 1/20 0.32
▸ PDE4A P27815 2/20 0.32
▸ PDE4B Q07343 2/20 0.32
▸ PDE4D Q08499 2/20 0.32
▸ SLC40A1 Q9NP59 1/20 0.32
▸ NOTUM Q6P988 1/20 0.32
▸ PDE4C Q08493 1/20 0.31
▸ HCRTR1 O43613 1/20 0.30
▸ HCRTR2 O43614 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
SCHEMBL12100617 0.77 HSD11B1 (0.41) MGLL
SCHEMBL12099973 0.76 PDE10A (0.36) SLC40A1
SCHEMBL12099411 0.75 CACNA1B (0.33) HCRTR1HCRTR2
SCHEMBL12100279 0.71 ELOVL6 (0.38) —
SCHEMBL12100071 0.71 SLC40A1 (0.48) PDE4APDE4BPDE4DSLC40A1PDE4C
SCHEMBL12099725 0.68 SCN9A (0.39) MGLLNOTUM
SCHEMBL12100686 0.67 PRCP (0.40) PDE4APDE4BPDE4DSLC40A1
SCHEMBL1806244 0.67 SCN9A (0.46) MGLLSLC40A1
SCHEMBL12100104 0.63 ALDH1A1 (0.43) HCRTR1HCRTR2
SCHEMBL13485914 0.63 SLC40A1 (0.60) SLC40A1

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 METAP1 2337/4885MGLL 4513/4885PDE4A 1258/4885

“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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