SCHEMBL1812318

SCHEMBL1812318

Cc1nc(-c2cccc(C(=O)N3CCC(S(=O)(=O)c4cccc(OC(F)(F)F)c4)CC3)c2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 3/20 0.48
▸ ALDH1A1 P00352 5/20 0.46
▸ GAA P10253 3/20 0.46
▸ USP2 O75604 3/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ RHOA P61586 2/20 0.46
▸ LMNA P02545 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HTT P42858 2/20 0.46
▸ HSD11B1 P28845 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ MGLL Q99685 2/20 0.45
▸ SCN9A Q15858 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ NPC1 O15118 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ ALOX15 P16050 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
SCHEMBL12188745 0.85 ALDH1A1 (0.51) ALDH1A1GAAUSP2HSD17B10TSHR
SCHEMBL1807329 0.83 RHOA (0.60) ALDH1A1GAAUSP2HSD17B10TSHR
SCHEMBL12100104 0.79 ALDH1A1 (0.43) ALDH1A1GAAUSP2HSD17B10TSHR
SCHEMBL1808102 0.75 CACNA1B (0.48) CACNA1BHSD11B1MGLLSCN9A
SCHEMBL19626652 0.74 ALDH1A1 (0.74) ALDH1A1GAAUSP2HSD17B10TSHR
SCHEMBL19626579 0.74 SCN9A (0.67) ALDH1A1GAATSHRMAPTHTT
SCHEMBL1807553 0.73 SCN9A (0.47) CACNA1BALDH1A1GAATSHRHTT
SCHEMBL3020525 0.73 RAB9A (0.49) ALDH1A1GAAUSP2HSD17B10TSHR
SCHEMBL1807148 0.73 GPR119 (0.51) CACNA1B
SCHEMBL1809658 0.72 SLC40A1 (0.51) CACNA1BALDH1A1HSD11B1MGLLSCN9A

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 9 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 claimed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 — — US claimed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 — — WO claimed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 — — US disclosed
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
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 17/4885ALDH1A1 787/4885GAA 1906/4885

“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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