SCHEMBL801417

SCHEMBL801417

CCCNS(=O)(=O)c1cc(C)ccc1C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.62
SMN1; SMN2 Q16637 3/20 0.57
HTT P42858 1/20 0.57
POLB P06746 2/20 0.55
KMT2A Q03164 1/20 0.54
TSHR P16473 3/20 0.52
ALDH1A1 P00352 4/20 0.51
LMNA P02545 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 1/20 0.50
ATM Q13315 1/20 0.50
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
CYP2C19 P33261 1/20 0.47

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
SCHEMBL17319218 0.86 SMN1; SMN2 (0.60) TDP1SMN1; SMN2HTTPOLBKMT2A
SCHEMBL7834037 0.83 ALDH1A1 (0.48) TDP1SMN1; SMN2HTTPOLBTSHR
SCHEMBL22433208 0.83 CA12 (0.58) TDP1SMN1; SMN2HTTPOLBKMT2A
SCHEMBL801402 0.83 POLB (0.52) TDP1SMN1; SMN2HTTPOLBKMT2A
SCHEMBL10700475 0.80 POLB (0.63) SMN1; SMN2HTTPOLBKMT2ATSHR
SCHEMBL634315 0.79 CA12 (0.61) TDP1SMN1; SMN2POLBALDH1A1L3MBTL1
SCHEMBL32664495 0.79 CA12 (0.61) TDP1SMN1; SMN2POLBALDH1A1L3MBTL1
SCHEMBL4618631 0.77 SFRP1 (0.76) TDP1SMN1; SMN2HTTPOLBKMT2A
SCHEMBL17319511 0.77 ALDH1A1 (0.56) TDP1SMN1; SMN2HTTPOLBKMT2A
SCHEMBL16261330 0.76 CNR2 (0.50) HTTPOLBKMT2AALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569285-B2 Dihydrobenzoxathiazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2013-10-29 US disclosed
US-20120071462-A1 Dihydrobenzoxathiazepine compounds, a process for their preparation and pharmaceutical compositions containing them LES LABORATOIRES SERVIER (FR) 2012-03-22 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 (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-20120071462-A1 Dihydrobenzoxathiazepine compounds, a process for their preparation and pharmaceutical compositions containing them GABRA1, GRM1, GABRA5 TDP1 2079/4885SMN1; SMN2 2283/4885HTT 1129/4885

“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.