SCHEMBL2303097

SCHEMBL2303097

Cc1ccc(S(=O)(=O)C2CC[N]CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
ACHE P22303 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
DNMT1 P26358 1/20 0.40
TLR9 Q9NR96 1/20 0.39
GBA1 P04062 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
ELOVL6 Q9H5J4 1/20 0.38
PKM P14618 1/20 0.38

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
SCHEMBL5761130 0.86 GAA (0.52) GAAACHEALDH1A1CYP3A4TSHR
SCHEMBL14227971 0.82 ALDH1A1 (0.53) GAAACHEALDH1A1CYP3A4TSHR
SCHEMBL879307 0.82 ACHE (0.53) GAAACHEALDH1A1CYP3A4TSHR
SCHEMBL4674685 0.81 ALDH1A1 (0.43) ACHEALDH1A1CYP3A4CA12CA1
SCHEMBL11507747 0.81 ALDH1A1 (0.56) GAAACHEALDH1A1CYP3A4TSHR
SCHEMBL2100232 0.81 HTR2A (0.51) ALDH1A1GBA1ELOVL6MMP13HTR2A
SCHEMBL12807878 0.79 ACHE (0.46) GAAACHEALDH1A1CYP3A4TSHR
SCHEMBL27981546 0.79 GAA (0.45) GAAACHEALDH1A1CYP3A4TSHR
SCHEMBL31435684 0.78 GAA (0.43) GAAACHEALDH1A1CYP3A4TSHR
SCHEMBL5319901 0.78 MMP13 (0.45) GAAACHEALDH1A1CYP3A4TSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9334269-B2 Carboxamides as inhibitors of voltage-gated sodium channels AMGEN INC. (US) 2016-05-10 US disclosed
US-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2013-05-23 US disclosed
EP-2536689-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN Amgen Inc. (US) 2012-12-26 EP disclosed
WO-2011103196-A1 ARYL CARBOXAMIDE DERIVATIVES AS SODIUM CHANNEL INHIBITORS FOR TREATMENT OF PAIN AMGEN INC. (US) 2011-08-25 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-20130131035-A1 CARBOXAMIDES AS INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS CACNA1B, SCN1A, CACNA1I GAA 3193/4885ACHE 186/4885ALDH1A1 3255/4885

“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.