SCHEMBL286776

SCHEMBL286776

CC(C)(C)c1ccc(S(=O)(=O)NNC(=O)C2=CN(CC(=O)c3cccs3)C=CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
GAA P10253 4/20 0.44
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 3/20 0.37
MAPT P10636 2/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PARG Q86W56 1/20 0.36
TSHR P16473 1/20 0.34
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
TP53 P04637 2/20 0.34
KAT6A Q92794 1/20 0.34

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
SCHEMBL287088 0.90 GAA (0.46) ALDH1A1GAALMNASMN1; SMN2HTT
SCHEMBL660129 0.89 GAA (0.46) ALDH1A1GAALMNAMAPTMEN1
SCHEMBL658335 0.88 ALDH1A1 (0.61) ALDH1A1GAALMNASMN1; SMN2HTT
SCHEMBL287773 0.84 ALDH1A1 (0.39) ALDH1A1GAALMNASMN1; SMN2HTT
SCHEMBL661687 0.82 ERCC5 (0.43) ALDH1A1GAALMNAHTTMAPT
SCHEMBL662303 0.82 ALDH1A1 (0.38) ALDH1A1GAALMNASMN1; SMN2HTT
SCHEMBL660109 0.82 CTNNB1 (0.36) ALDH1A1GAALMNASMN1; SMN2HTT
SCHEMBL658736 0.80 NPSR1 (0.46) ALDH1A1GAALMNASMN1; SMN2HTT
SCHEMBL7799733 0.80 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2HTTMAPT
SCHEMBL660111 0.80 RAB9A (0.46) ALDH1A1GAASMN1; SMN2MAPTMEN1

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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US claimed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
US-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS DUTT CHAITANYA (IN) 2012-02-23 US disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 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-20120046317-A1 NOVEL HETEROCYCLIC COMPOUNDS AGER, REN, AGT ALDH1A1 676/4885GAA 194/4885LMNA 123/4885

“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.