SCHEMBL15074499

SCHEMBL15074499

Cc1ccc(S(=O)(=O)n2cnc3ccc(Br)cc32)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.66
ALDH3A1 P30838 4/20 0.66
POLB P06746 1/20 0.66
NOD1 Q9Y239 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
FABP4 P15090 1/20 0.57
LMNA P02545 5/20 0.52
TSHR P16473 4/20 0.52
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
MAPK1 P28482 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 3/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.43

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
SCHEMBL12271942 0.83 ALDH1A1 (0.51) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL470318 0.82 FABP4 (0.50) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL6170599 0.80 HTT (0.61) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL19911331 0.80 HTT (0.69) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL8329551 0.80 ALDH3A1 (1.00) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL15410031 0.80 L3MBTL1 (0.50) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL29408218 0.74 MEN1 (0.60) HTTL3MBTL1FABP4LMNATSHR
SCHEMBL2573218 0.74 MEN1 (0.60) HTTL3MBTL1FABP4LMNATSHR
SCHEMBL22128244 0.74 KDM4E (0.45) HTTALDH3A1POLBNOD1L3MBTL1
SCHEMBL31315856 0.74 KDM4E (0.45) HTTALDH3A1POLBNOD1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165433-A1 Novel Use GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2013-06-27 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-20130165433-A1 Novel Use HAVCR2, MAVS, ENTPD5 HTT 3804/4885ALDH3A1 1903/4885POLB 1728/4885

“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.