SCHEMBL13089331

SCHEMBL13089331

CCN(CC)S(=O)(=O)c1sccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 4/20 0.43
HTT P42858 4/20 0.43
SERPINE1 P05121 1/20 0.42
PKM P14618 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 5/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 3/20 0.37
USP2 O75604 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL3631172 0.89 SERPINE1 (0.44) SMN1; SMN2LMNAHTTSERPINE1PKM
SCHEMBL12086785 0.85 L3MBTL1 (0.51) SMN1; SMN2LMNAALDH1A1TSHRMEN1
SCHEMBL12626888 0.83 SERPINE1 (0.34) SMN1; SMN2LMNAHTTSERPINE1PKM
SCHEMBL12261097 0.79 NEK1 (0.39) SMN1; SMN2LMNAHTTSERPINE1PKM
SCHEMBL14271818 0.76 ALDH1A1 (0.49) SMN1; SMN2LMNAHTTNPC1RAB9A
SCHEMBL15147303 0.75 ALDH1A1 (0.33) LMNASERPINE1ALDH1A1
SCHEMBL1168858 0.72 KDM4E (0.42) SMN1; SMN2LMNAHTTSERPINE1ALDH1A1
SCHEMBL4977235 0.72 CA2 (0.41) MAPK1
SCHEMBL14401691 0.71 ALDH1A1 (0.42) SMN1; SMN2LMNANPC1ALDH1A1TSHR
SCHEMBL14271816 0.70 TSHR (0.44) SMN1; SMN2LMNAHTTSERPINE1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745032-B1 CXCR1 and CXCR2 chemokine antagonists MERCK SHARP & DOHME (US) 2013-07-31 EP disclosed
EP-1907399-B1 5,6-DI-SUBSTITUTED OXADIAZOLOPYRAZINES AND THIADIAZOLOPYRAZINES AS CXC-CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2010-10-27 EP disclosed
US-7326729-B2 CXCR1 and CXCR2 chemokine antagonists SCHERING CORPORATION (US) 2008-02-05 US disclosed
US-7326729-B2 CXCR1 and CXCR2 chemokine antagonists SCHERING CORPORATION (US) 2008-02-05 US disclosed
US-20070248594-A1 CXCR1 AND CXCR2 CHEMOKINE ANTAGONISTS SCHERING CORPORATION 2007-10-25 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-20070248594-A1 CXCR1 AND CXCR2 CHEMOKINE ANTAGONISTS CXCR1, CXCR2, CXCR5 SMN1; SMN2 4668/4885LMNA 4869/4885HTT 4457/4885

“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.