SCHEMBL3104255

SCHEMBL3104255

[CH2]c1scc(S(=O)(=O)C(C)C)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 5/20 0.46
MAPK1 P28482 3/20 0.46
NPSR1 Q6W5P4 2/20 0.42
POLB P06746 2/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.38
PKM P14618 1/20 0.38
BLM P54132 1/20 0.38
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TNF P01375 1/20 0.31
NOD2 Q9HC29 1/20 0.31
NOD1 Q9Y239 1/20 0.31

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
SCHEMBL3104261 0.79 KDM4E (0.54) KDM4EGAAMAPTMAPK1NPSR1
SCHEMBL13990882 0.79 KDM4E (0.54) KDM4EGAAMAPTMAPK1NPSR1
SCHEMBL13919776 0.78 KDM4E (0.53) KDM4EGAAMAPTMAPK1NPSR1
SCHEMBL8691473 0.78 KDM4E (0.56) KDM4EGAAMAPTMAPK1NPSR1
SCHEMBL13990643 0.76 KDM4E (0.51) KDM4EGAAMAPTMAPK1NPSR1
SCHEMBL6222158 0.75 KDM4E (0.50) KDM4EGAAMAPTMAPK1NPSR1
SCHEMBL6222161 0.75 KDM4E (0.50) KDM4EGAAMAPTMAPK1NPSR1
SCHEMBL3065143 0.74 KDM4E (0.68) KDM4EGAAMAPTMAPK1NPSR1
SCHEMBL1326886 0.74 KDM4E (0.68) KDM4EGAAMAPTMAPK1NPSR1
SCHEMBL14392386 0.73 KDM4E (0.71) KDM4EGAAMAPTMAPK1NPSR1

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
EP-2146996-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT AstraZeneca AB (SE) 2010-01-27 EP claimed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 US claimed
WO-2008130314-A1 XANTHINE COMPOUNDS HAVING A POSITIVE ALLOSTERIC GABAB RECEPTOR MODULATOR EFFECT ASTRAZENECA AB (SE) 2008-10-30 WO claimed
US-20090023704-A1 Novel Compounds 737 ASTRAZENECA AB (SE) 2009-01-22 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-20090023704-A1 Novel Compounds 737 GRPR, GABRB1, GABBR1 KDM4E 3435/4885GAA 836/4885MAPT 2910/4885

“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.