SCHEMBL6358306

SCHEMBL6358306

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

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.66
GAA P10253 2/20 0.66
HSD17B10 Q99714 2/20 0.66
L3MBTL1 Q9Y468 1/20 0.63
KMT2A Q03164 3/20 0.61
POLB P06746 2/20 0.61
MEN1 O00255 2/20 0.61
SMN1; SMN2 Q16637 5/20 0.58
KDM4E B2RXH2 1/20 0.54
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
TP53 P04637 1/20 0.52
ERN1 O75460 1/20 0.49
ROCK2 O75116 1/20 0.48

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
SCHEMBL6359372 0.91 SMN1; SMN2 (0.72) ALDH1A1GAAHSD17B10L3MBTL1KMT2A
SCHEMBL12319476 0.88 ALDH1A1 (0.66) ALDH1A1GAAHSD17B10L3MBTL1KMT2A
SCHEMBL13753335 0.88 ALDH1A1 (0.69) ALDH1A1GAAHSD17B10KMT2APOLB
SCHEMBL12319414 0.84 ALDH1A1 (0.61) ALDH1A1GAAHSD17B10L3MBTL1KMT2A
SCHEMBL19072052 0.84 ALDH1A1 (0.61) ALDH1A1GAAHSD17B10KMT2AMEN1
SCHEMBL25492516 0.84 L3MBTL1 (0.62) ALDH1A1GAAHSD17B10L3MBTL1KMT2A
SCHEMBL13763531 0.84 L3MBTL1 (0.80) ALDH1A1GAAHSD17B10L3MBTL1KMT2A
SCHEMBL7705708 0.83 ALDH1A1 (0.76) ALDH1A1GAAHSD17B10L3MBTL1KMT2A
SCHEMBL14482756 0.81 ALDH1A1 (0.64) ALDH1A1GAAHSD17B10KMT2AMEN1
SCHEMBL29646375 0.81 ALDH1A1 (0.64) ALDH1A1GAAHSD17B10KMT2AMEN1

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 ALDH1A1 1477/4885GAA 1880/4885HSD17B10 3721/4885
US-20100041887-A1 QUINUCLIDINE DERIVATIVES BINDING TO MUCARINIC M3 RECEPTORS CHRM3, CHRM2, CHRM1 ALDH1A1 1477/4885GAA 1880/4885HSD17B10 3721/4885

“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.