SCHEMBL9885409

SCHEMBL9885409

Nc1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.76
POLB P06746 4/20 0.66
CYP3A4 P08684 1/20 0.63
CYP2D6 P10635 1/20 0.63
CYP2C19 P33261 1/20 0.63
ALDH1A1 P00352 2/20 0.61
NPSR1 Q6W5P4 1/20 0.61
PKM P14618 1/20 0.60
KDM4E B2RXH2 1/20 0.58
MBTD1 Q05BQ5 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
TDP1 Q9NUW8 1/20 0.57
MAPK1 P28482 1/20 0.56
MEN1 O00255 1/20 0.56

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
SCHEMBL78149 0.92 PKM (0.70) KMT2APOLBALDH1A1PKMMAPK1
SCHEMBL3326014 0.89 KMT2A (0.76) KMT2APOLBCYP3A4CYP2D6CYP2C19
SCHEMBL1636286 0.87 L3MBTL1 (0.74) KMT2ACYP3A4CYP2D6KDM4EMBTD1
SCHEMBL6035036 0.86 KMT2A (0.76) KMT2APOLBCYP3A4CYP2D6CYP2C19
SCHEMBL6107281 0.86 KMT2A (0.76) KMT2APOLBCYP3A4CYP2D6CYP2C19
SCHEMBL9885366 0.86 POLB (0.78) KMT2APOLBCYP3A4CYP2D6CYP2C19
SCHEMBL4770184 0.86 L3MBTL1 (0.72) KMT2ACYP3A4CYP2D6KDM4EMBTD1
SCHEMBL13045322 0.86 KMT2A (0.76) KMT2APOLBCYP3A4CYP2D6CYP2C19
SCHEMBL12169396 0.86 KMT2A (0.75) KMT2APOLBCYP3A4CYP2D6CYP2C19
SCHEMBL12509429 0.84 KMT2A (0.73) KMT2APOLBCYP3A4CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8193184-B2 Substituted sulphonamides, process for their preparation, pharmaceutical composition comprising thereof and their use Unimed Pharma, SPOL, S.R.O. (SK) 2012-06-05 US disclosed
US-20100125076-A1 SUBSTITUTED SULPHONAMIDES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITION COMPRISING THEREOF AND THEIR USE UNIMED PHARMA, SPOL. S R.O. (SK) 2010-05-20 US disclosed
WO-2008130332-A1 SUBSITUTED SULPHONAMIDES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITION COMPRISING THEREOF AND THEIR USE UNIMED PHARMA, SPOL. S R.O. (SK) 2008-10-30 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-20100125076-A1 SUBSTITUTED SULPHONAMIDES, PROCESS FOR THEIR PREPARATION, PHARMACEUTICAL COMPOSITION COMPRISING THEREOF AND THEIR USE ARSA, SMS, SULT1E1 KMT2A 1249/4885POLB 1502/4885CYP3A4 49/4885

“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.