SCHEMBL3568957

SCHEMBL3568957

CN(CCc1ccc(N)c(CS(=O)(=O)c2ccccc2)c1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.42
CA1 P00915 5/20 0.42
CA2 P00918 5/20 0.42
CA9 Q16790 2/20 0.42
RCE1 Q9Y256 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38
HTR6 P50406 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CA4 P22748 2/20 0.35
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34

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
SCHEMBL3533820 0.90 CA12 (0.43) CA12CA1CA2CA9SPHK1
SCHEMBL3533822 0.86 CA12 (0.43) CA12CA1CA2RCE1CA4
SCHEMBL4690202 0.82 KMT2A (0.51) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL4690208 0.82 KMT2A (0.51) ALDH1A1RAB9AMAPTMEN1KMT2A
SCHEMBL27716502 0.79 CYP1A2 (0.49) CA1CA2SMN1; SMN2HSD17B10MAPT
SCHEMBL3533498 0.79 PTPN1 (0.47) CA12CA9ALDH1A1KMT2A
SCHEMBL3530911 0.78 CA2 (0.46) CA2HTR6TSHRHSD17B10MAPT
SCHEMBL3568963 0.76 HDAC1 (0.41) NPC1ALDH1A1RAB9AKMT2A
SCHEMBL3533818 0.76 SMN1; SMN2 (0.41) NPC1ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL4689420 0.76 NPC1 (0.36) CA1CA2NPC1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645752-B2 Sulfonyl substituted 1H-indoles as ligands for the 5-hydroxytryptamine receptors WYETH LLC (US) 2010-01-12 US disclosed
EP-1973876-A2 SULFONYL SUBSTITUTED 1H-INDOLES AS LIGANDS FOR THE 5-HYDROXYTRYPTAMINE RECEPTORS Wyeth (US) 2008-10-01 EP disclosed
EP-1931640-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS Wyeth a Corporation of the State of Delaware (US) 2008-06-18 EP disclosed
US-20070203120-A1 Sulfonyl Substituted 1H-Indoles as Ligands for the 5-Hydroxytryptamine Receptors WYETH (US) 2007-08-30 US disclosed
WO-2007084841-A2 SULFONYL SUBSTITUTED 1H-INDOLES AS LIGANDS FOR THE 5-HYDROXYTRYPTAMINE RECEPTORS WYETH (US) 2007-07-26 WO disclosed
WO-2007021711-A2 SUBSTITUTED-3-SULFONYLINDAZOLE DERIVATIVES AS 5-HYDROXYTRYPTAMINE-6 LIGANDS WYETH (US) 2007-02-22 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-20070203120-A1 Sulfonyl Substituted 1H-Indoles as Ligands for the 5-Hydroxytryptamine Receptors HTR5A, HTR2C, HTR2A CA12 4468/4885CA1 3849/4885CA2 2802/4885

“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.