SCHEMBL2931330

SCHEMBL2931330

Cc1cc(S(N)(=O)=O)c(C)c(C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
PDIA6 Q15084 1/20 0.39
CA1 P00915 10/20 0.39
CA2 P00918 10/20 0.39
CA12 O43570 9/20 0.39
CA9 Q16790 9/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
APEX1 P27695 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL30232570 0.82 ALDH1A1 (0.43) ALDH1A1KDM4EPDIA6CA1CA2
SCHEMBL29162279 0.80 RAPGEF4 (0.40) ALDH1A1KDM4ELMNACYP2C19PKM
SCHEMBL30035859 0.79 ALDH1A1 (0.61) ALDH1A1KDM4EPDIA6CA1CA2
SCHEMBL2051094 0.78 RAPGEF4 (0.34) ALDH1A1LMNAMEN1KMT2A
SCHEMBL2307620 0.77 ALDH1A1 (0.57) ALDH1A1KDM4EPDIA6CA1CA2
SCHEMBL28479623 0.77 PKM (0.42) ALDH1A1KDM4EPDIA6CA1CA2
SCHEMBL29733677 0.77 ALDH1A1 (0.57) ALDH1A1KDM4EPDIA6CA1CA2
SCHEMBL7526380 0.76 TRPV4 (0.34) ALDH1A1
SCHEMBL701462 0.76 ALDH1A1 (0.55) ALDH1A1KDM4EPDIA6CA1CA2
SCHEMBL2870779 0.76 BRD4 (0.36) ALDH1A1KDM4ECA1CA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2229395-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-09-22 EP claimed
WO-2009090054-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-07-23 WO claimed
EP-2229395-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-09-22 EP disclosed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
WO-2009090054-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-07-23 WO disclosed
US-20090030038-A1 Novel 8-Sulfonylamino-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5Ht6 Receptor ASTRAZENECA AB (SE) 2009-01-29 US disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO disclosed
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed
US-6423717-B1 NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 2002-07-23 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-20090030038-A1 Novel 8-Sulfonylamino-3 Aminosubstituted Chroman or Tetrahydronaphtalene Derivatives Modulating the 5Ht6 Receptor HTR6, HTR1A, HTR1D ALDH1A1 2701/4885KDM4E 3212/4885PDIA6 2857/4885

“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.