SCHEMBL2958592

SCHEMBL2958592

CC(=O)N1CCN(C(=O)CSCc2sc3ccccc3c2-c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 6/20 0.43
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 2/20 0.42
AR P10275 2/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
EGFR P00533 1/20 0.40
TYMS P04818 1/20 0.40
LTA4H P09960 1/20 0.40
VDR P11473 1/20 0.40
SRC P12931 1/20 0.40
MAPK1 P28482 1/20 0.40
CTSK P43235 1/20 0.40
PTPN1 P18031 3/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 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
SCHEMBL2956456 0.90 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL2961088 0.86 ATM (0.43) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL2964468 0.80 SMN1; SMN2 (0.48) SMN1; SMN2PTPN1
SCHEMBL2962428 0.79 EGFR (0.39) RAB9ANPC1MAPTALDH1A1LMNA
SCHEMBL2961389 0.77 PTPN1 (0.44) ALDH1A1POLBPTPN1KMT2A
SCHEMBL2956449 0.74 SMN1; SMN2 (0.48) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL11558734 0.67 SMO (0.51) RAB9ANPC1SMN1; SMN2MAPTALDH1A1
SCHEMBL2544360 0.66 PTPN1 (0.55) PTPN1
SCHEMBL2960529 0.65 PTPN1 (0.54) PTPN1
Oxalic Acid SCHEMBL10753837 0.65 PTPN1 (0.54) MAPTALDH1A1PTPN1

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 7 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
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
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 RAB9A 1610/4885NPC1 1020/4885SMN1; SMN2 298/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A RAB9A 1610/4885NPC1 1020/4885SMN1; SMN2 298/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A RAB9A 1610/4885NPC1 1020/4885SMN1; SMN2 298/4885

“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.