SCHEMBL1199899

SCHEMBL1199899

O=C(O)CS(=O)(=O)N1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
LMNA P02545 4/20 0.46
TSHR P16473 3/20 0.46
HSD17B10 Q99714 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL19402730 0.84 POLB (0.46) LMNATSHRGAAALDH1A1L3MBTL1
SCHEMBL4264406 0.82 KDM4E (0.48) CA12CA7CA14LMNATSHR
SCHEMBL10167815 0.79 CA12 (0.43) CA12CA7CA14LMNATSHR
SCHEMBL1199921 0.77 GLA (0.46) CA12CA7CA14LMNASMN1; SMN2
SCHEMBL14452122 0.77 CA12 (0.42) CA12CA7CA14LMNATSHR
SCHEMBL15693585 0.75 CA12 (0.59) CA12CA7CA14LMNATSHR
SCHEMBL7602303 0.75 CA12 (0.59) CA12CA7CA14LMNATSHR
SCHEMBL15693604 0.75 CA12 (0.59) CA12CA7CA14LMNATSHR
SCHEMBL9608598 0.72 CA12 (0.50) CA12CA7CA14LMNATSHR
SCHEMBL1769489 0.72 ALDH1A1 (0.41) CA12CA7CA14LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7888351-B2 Organic compounds NOVARTIS AG (CH) 2011-02-15 US disclosed
US-20110034462-A1 ORGANIC COMPOUNDS BAESCHLIN DANIEL KASPAR 2011-02-10 US disclosed
US-20090281069-A1 ORGANIC COMPOUNDS BAESCHLIN DANIEL KASPAR 2009-11-12 US disclosed
EP-2007723-A2 ORGANIC COMPOUNDS Novartis AG (CH) 2008-12-31 EP disclosed
WO-2007115821-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2007-10-18 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 (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-20090281069-A1 ORGANIC COMPOUNDS OTC, OAT, SLCO2B1 CA12 218/4885CA7 183/4885CA14 273/4885
US-20110034462-A1 ORGANIC COMPOUNDS OTC, OAT, SLCO2B1 CA12 218/4885CA7 183/4885CA14 273/4885

“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.