SCHEMBL3036711

SCHEMBL3036711

O=[N+]([O-])c1cc(S(=O)(=O)NC2CCC2)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 6/20 0.61
SMN1; SMN2 Q16637 2/20 0.56
MAPK1 P28482 1/20 0.56
TP53 P04637 1/20 0.55
PKM P14618 1/20 0.55
ALOX15 P16050 1/20 0.55
NPBWR1 P48145 1/20 0.53
MCHR1 Q99705 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 2/20 0.53
HTT P42858 1/20 0.53
KDM4E B2RXH2 1/20 0.53
RECQL P46063 1/20 0.53
ALDH1A1 P00352 1/20 0.50
WNK1 Q9H4A3 2/20 0.49
DNMT1 P26358 1/20 0.48
DNMT3A Q9Y6K1 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
SCHEMBL3098587 0.97 VCAM1 (0.61) VCAM1SMN1; SMN2MAPK1TP53PKM
SCHEMBL10389384 0.96 TP53 (0.61) VCAM1SMN1; SMN2MAPK1TP53PKM
SCHEMBL12549754 0.85 ALDH1A1 (0.56) VCAM1SMN1; SMN2MAPK1NPBWR1MCHR1
SCHEMBL516882 0.82 VCAM1 (0.53) VCAM1SMN1; SMN2MAPK1TP53PKM
SCHEMBL516883 0.82 VCAM1 (0.53) VCAM1SMN1; SMN2MAPK1TP53PKM
SCHEMBL12550128 0.81 VCAM1 (0.52) VCAM1SMN1; SMN2MAPK1TP53PKM
SCHEMBL9796179 0.80 ALDH1A1 (0.68) SMN1; SMN2MAPK1MEN1KMT2ALMNA
SCHEMBL516635 0.79 VCAM1 (0.52) VCAM1SMN1; SMN2MAPK1TP53PKM
SCHEMBL516636 0.79 VCAM1 (0.52) VCAM1SMN1; SMN2MAPK1TP53PKM
SCHEMBL3093045 0.78 WNK1 (0.56) SMN1; SMN2MAPK1TP53PKMALOX15

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-20100216801-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2010-08-26 US disclosed
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2009-08-13 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-20100216801-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA VCAM1 1343/4885SMN1; SMN2 2523/4885MAPK1 1490/4885
US-20090203692-A1 NOVEL CHEMICAL COMPOUNDS HIPK3, HIPK1, HIPK4 VCAM1 1525/4885SMN1; SMN2 2437/4885MAPK1 1625/4885

“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.