SCHEMBL1809004

SCHEMBL1809004

CCOc1cccc(S(=O)(=O)C2CCN(C(=O)O)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KAT6A Q92794 1/20 0.44
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
SPR P35270 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 1/20 0.41
RECQL P46063 1/20 0.41
DRD2 P14416 1/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 2/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
HTR2A P28223 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
FAAH O00519 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL1810708 0.85 MMP13 (0.53) MMP13
SCHEMBL1808102 0.81 CACNA1B (0.48) KAT6ASPRHTR2A
SCHEMBL23799261 0.80 SPR (0.46) SPRALDH1A1DRD2HTR2AKMT2A
SCHEMBL12168971 0.79 CA1 (0.40) KAT6AALDH1A1KDM4ETDP1MAPT
SCHEMBL13873510 0.78 CA1 (0.51) KAT6AALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL1811165 0.78 CCKAR (0.40) SPRGPR6
Hydrochloric Acid SCHEMBL1810169 0.78 HTR6 (0.41) KAT6AALDH1A1KDM4ETDP1MAPT
SCHEMBL27917812 0.77 HTR2A (0.58) SPRALDH1A1DRD2SMN1; SMN2HTR2A
SCHEMBL4539607 0.77 SPR (0.46) SPRALDH1A1TP53HTR2A
SCHEMBL13873528 0.75 CA1 (0.49) KAT6AALDH1A1MAPTLMNASMN1; SMN2

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 KAT6A 838/4885HCRTR1 483/4885HCRTR2 280/4885

“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.