SCHEMBL6359372

SCHEMBL6359372

CCCCNC(=O)c1cccc(S(C)(=O)=O)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.72
ALDH1A1 P00352 5/20 0.63
GAA P10253 4/20 0.63
HSD17B10 Q99714 1/20 0.63
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
NAAA Q02083 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
POLB P06746 1/20 0.51
MAPT P10636 1/20 0.51
TSHR P16473 1/20 0.50
HTT P42858 1/20 0.50
NPC1 O15118 1/20 0.50
TP53 P04637 1/20 0.50
RAB9A P51151 1/20 0.50
FBP1 P09467 1/20 0.50
CA2 P00918 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL6358306 0.91 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1GAAHSD17B10MEN1
SCHEMBL3843062 0.90 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1GAAHSD17B10MEN1
SCHEMBL29617533 0.87 SMN1; SMN2 (0.70) SMN1; SMN2ALDH1A1GAAMEN1KMT2A
SCHEMBL12319476 0.85 ALDH1A1 (0.66) SMN1; SMN2ALDH1A1GAAHSD17B10MEN1
SCHEMBL13753335 0.85 ALDH1A1 (0.69) SMN1; SMN2ALDH1A1GAAHSD17B10MEN1
SCHEMBL3127370 0.85 SMN1; SMN2 (0.67) SMN1; SMN2ALDH1A1GAAMEN1KMT2A
SCHEMBL16117373 0.85 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1GAAHSD17B10KMT2A
SCHEMBL19072052 0.82 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1GAAHSD17B10MEN1
SCHEMBL12319414 0.82 ALDH1A1 (0.61) SMN1; SMN2ALDH1A1GAAHSD17B10MEN1
SCHEMBL14526568 0.81 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-8168654-B2 Quinuclidine derivatives binding to mucarinic M3 receptors NOVARTIS AG (CH) 2012-05-01 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS COLLINGWOOD STEPHEN PAUL 2010-02-18 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 US disclosed
US-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors NOVARTIS AG (CH) 2007-03-15 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 (2 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-20070060563-A1 Quinuclidine derivatives binding to mucarinic m3 receptors CHRM3, CHRM2, CHRM1 SMN1; SMN2 3865/4885ALDH1A1 1477/4885GAA 1880/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 SMN1; SMN2 3865/4885ALDH1A1 1477/4885GAA 1880/4885

“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.