SCHEMBL12100071

SCHEMBL12100071

O=CN1CCC(S(=O)(=O)c2cccc(OC(F)(F)F)c2)CC1c1cccc2cccnc12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SLC40A1 Q9NP59 8/20 0.48
▸ PDE4B Q07343 3/20 0.40
▸ PDE4D Q08499 3/20 0.40
▸ PDE4A P27815 2/20 0.40
▸ PDE4C Q08493 1/20 0.37
▸ PKLR P30613 1/20 0.37
▸ PPARG P37231 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ GLO1 Q04760 1/20 0.34
▸ PRCP P42785 2/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ FLT3 P36888 1/20 0.33

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
SCHEMBL12100686 0.91 PRCP (0.40) SLC40A1PDE4BPDE4DPDE4APPARG
SCHEMBL12099973 0.81 PDE10A (0.36) SLC40A1CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL12099695 0.77 NPY5R (0.36) CYP11B1CYP11B2CYP3A4CYP2C9CYP2C19
SCHEMBL1809658 0.76 SLC40A1 (0.51) SLC40A1PDE4BPDE4DPDE4APDE4C
SCHEMBL12100279 0.76 ELOVL6 (0.38) PPARGCYP3A4CYP2C9CYP2C19FLT3
SCHEMBL12099616 0.75 CACNA1B (0.38) PPARG
SCHEMBL12100104 0.74 ALDH1A1 (0.43) —
SCHEMBL12099936 0.74 NOTUM (0.40) SLC40A1CYP11B1CYP11B2
SCHEMBL12100616 0.71 METAP1 (0.35) SLC40A1PDE4BPDE4DPDE4APDE4C
SCHEMBL28811119 0.69 SLC40A1 (0.66) SLC40A1PKLRGLO1NAMPT

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 SLC40A1 3806/4885PDE4B 1408/4885PDE4D 2111/4885

“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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