SCHEMBL3459447

SCHEMBL3459447

O=S(=O)(O)CCOc1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 2/20 0.45
POLB P06746 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HTT P42858 2/20 0.45
BLM P54132 2/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
BRCA1 P38398 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GMNN O75496 1/20 0.45
PKM P14618 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
RECQL P46063 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL17274189 0.90 ALDH1A1 (0.51) ALDH1A1RAB9ALMNAPOLBSMN1; SMN2
SCHEMBL12468575 0.88 ALDH1A1 (0.50) ALDH1A1RAB9ALMNAPOLBSMN1; SMN2
SCHEMBL3464975 0.82 MEN1 (0.44) KMT2AMEN1RAB9ASMN1; SMN2NPC1
SCHEMBL6451025 0.81 ALDH1A1 (0.49) KMT2AALDH1A1RAB9ALMNAPOLB
SCHEMBL19846329 0.81 ALDH1A1 (0.45) ALDH1A1RAB9ALMNAPOLBSMN1; SMN2
SCHEMBL25737139 0.81 ALDH1A1 (0.45) ALDH1A1RAB9ALMNAPOLBSMN1; SMN2
SCHEMBL11204077 0.81 LTA4H (0.47) ALDH1A1RAB9ALMNAPOLBSMN1; SMN2
SCHEMBL6595731 0.81 ALDH1A1 (0.45) ALDH1A1RAB9ALMNAPOLBSMN1; SMN2
SCHEMBL28319542 0.81 TAAR1 (0.50) ALDH1A1RAB9ALMNAPOLBSMN1; SMN2
SCHEMBL14557453 0.81 L3MBTL1 (0.55) KMT2AMEN1ALDH1A1RAB9ALMNA

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-20110065578-A1 Substituted Pyridin-4-ylmethyl Sulfonamides BASF SE (DE) 2011-03-17 US disclosed
WO-2009141290-A9 SUBSTITUTED PYRIDIN-4-YLMETHYL SULFONAMIDES BASF SE (DE) 2010-11-25 WO disclosed
WO-2009141290-A2 SUBSTITUTED PYRIDIN-4-YLMETHYL SULFONAMIDES BASF SE (DE) 2009-11-26 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-20110065578-A1 Substituted Pyridin-4-ylmethyl Sulfonamides NANS, PNPO, NQO2 KMT2A 1082/4885MEN1 3162/4885ALDH1A1 1715/4885

“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.