SCHEMBL2964227

SCHEMBL2964227

O=C(C[S+]([O-])Cc1sc2ccccc2c1-c1ccccc1)NCCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
ALDH1A1 P00352 1/20 0.37
PRNP P04156 1/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 2/20 0.35
HSD17B10 Q99714 1/20 0.35
FABP4 P15090 1/20 0.35
FABP5 Q01469 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
NFKB1 P19838 1/20 0.34
RECQL P46063 1/20 0.34
NFKB2 Q00653 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
SCHEMBL2956885 0.82 FABP4 (0.39) PTPN1SMN1; SMN2NPC1RAB9AFABP4
SCHEMBL2954632 0.78 PTPN1 (0.43) PTPN1L3MBTL1
SCHEMBL2965477 0.77 PTPN1 (0.39) PTPN1SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2962428 0.73 EGFR (0.39) PTPN1NPC1RAB9AALDH1A1CNR2
SCHEMBL2544360 0.69 PTPN1 (0.55) PTPN1FABP4FABP5L3MBTL1
SCHEMBL2960529 0.69 PTPN1 (0.54) PTPN1FABP4FABP5L3MBTL1
SCHEMBL2417319 0.65 L3MBTL1 (0.39) ALDH1A1GAAMEN1KMT2AL3MBTL1
SCHEMBL11900715 0.63 LOXL2 (0.59) PTPN1L3MBTL1
SCHEMBL2964468 0.63 SMN1; SMN2 (0.48) PTPN1SMN1; SMN2FABP4FABP5
SCHEMBL2544178 0.63 PTPN1 (0.47) PTPN1FABP4FABP5L3MBTL1

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-7772237-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2010-08-10 US disclosed
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2009-04-23 US disclosed
US-7476690-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2009-01-13 US disclosed
EP-1735300-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2006-12-27 EP disclosed
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-26 US disclosed
US-7119214-B2 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2006-10-10 US disclosed
US-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-12-22 US disclosed
WO-2005100345-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES CEPHALON FRANCE (FR) 2005-10-27 WO disclosed
EP-1589016-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives CEPHALON FRANCE (FR) 2005-10-26 EP 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 (3 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-20050282821-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A PTPN1 1143/4885SMN1; SMN2 298/4885NPC1 1020/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A PTPN1 1143/4885SMN1; SMN2 298/4885NPC1 1020/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A PTPN1 1143/4885SMN1; SMN2 298/4885NPC1 1020/4885

“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.