SCHEMBL3154113

SCHEMBL3154113

COC(=O)c1ccc(S(=O)(=O)Cl)cc1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
KDM4E B2RXH2 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 6/20 0.40
TSHR P16473 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ABL1 P00519 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 3/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
CA12 O43570 1/20 0.38

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
SCHEMBL29541454 0.81 ALDH1A1 (0.49) GAAKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL3121869 0.80 ALDH1A1 (0.44) GAAKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL12078300 0.78 ABL1 (0.58) GAAKDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL1017477 0.78 FLT1 (0.50) GAAKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL16908508 0.78 KDM4E (0.45) GAAKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL16908533 0.77 ALDH1A1 (0.50) GAAKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL16908460 0.77 ALDH1A1 (0.43) GAAKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4598114 0.76 KDM4E (0.57) GAAKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL15779058 0.76 GAA (0.51) GAAKDM4ESMN1; SMN2ALDH1A1CYP1A2
SCHEMBL18984322 0.76 GAA (0.44) GAAKDM4ESMN1; SMN2HSD17B10ALDH1A1

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
US-8741934-B2 Inhibitors of ion channels PFIZER LIMITED (GB) 2014-06-03 US disclosed
US-20130072471-A1 Inhibitors of Ion Channels MARRON BRIAN EDWARD (US) 2013-03-21 US disclosed
US-8357711-B2 Heterocyclic sulfonamides as inhibitors of ion channels PFIZER LIMITED (GB) 2013-01-22 US disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
EP-1995241-B1 Inhibitors of ion channels ICAGEN INC (US) 2010-03-17 EP disclosed
US-20090143358-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (US) 2009-06-04 US disclosed
EP-1995241-A1 Inhibitors of ion channels ICAgen, Incorporated (US) 2008-11-26 EP disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 WO disclosed
WO-2008118758-A1 INHIBITORS OF ION CHANNELS ICAGEN, INC. (GB) 2008-10-02 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 (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-20130072471-A1 Inhibitors of Ion Channels TRPV1, TRPV5, TRPA1 GAA 3679/4885KDM4E 1973/4885SMN1; SMN2 445/4885
US-20090143358-A1 INHIBITORS OF ION CHANNELS TRPV1, TRPV5, TRPA1 GAA 3679/4885KDM4E 1973/4885SMN1; SMN2 445/4885

“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.