SCHEMBL2956449

SCHEMBL2956449

CC(C)NC(=O)CSCc1sc2ccccc2c1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
FABP4 P15090 1/20 0.41
FABP5 Q01469 1/20 0.41
PTPN1 P18031 7/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
CASP1 P29466 1/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL2964468 0.82 SMN1; SMN2 (0.48) SMN1; SMN2FABP4FABP5PTPN1
SCHEMBL2961389 0.82 PTPN1 (0.44) ALDH1A1POLBL3MBTL1PTPN1HTT
SCHEMBL2956885 0.77 FABP4 (0.39) SMN1; SMN2NPC1RAB9AFABP4FABP5
SCHEMBL2956456 0.77 RAB9A (0.48) SMN1; SMN2ALDH1A1HPGDPOLBNPC1
SCHEMBL2958592 0.74 RAB9A (0.43) SMN1; SMN2ALDH1A1HPGDPOLBNPC1
SCHEMBL2961088 0.71 ATM (0.43) SMN1; SMN2ALDH1A1HPGDPOLBNPC1
SCHEMBL2960529 0.68 PTPN1 (0.54) L3MBTL1FABP4FABP5PTPN1
SCHEMBL11828879 0.67 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1HPGDPOLBNPC1
SCHEMBL2544360 0.65 PTPN1 (0.55) L3MBTL1FABP4FABP5PTPN1
SCHEMBL11900715 0.65 LOXL2 (0.59) L3MBTL1PTPN1

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 SMN1; SMN2 298/4885ALDH1A1 2457/4885HPGD 3681/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A SMN1; SMN2 298/4885ALDH1A1 2457/4885HPGD 3681/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A SMN1; SMN2 298/4885ALDH1A1 2457/4885HPGD 3681/4885

“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.