SCHEMBL2962428

SCHEMBL2962428

CC(=O)N1CCN(C(=O)C[S+]([O-])Cc2sc3ccccc3c2-c2ccccc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.39
TYMS P04818 1/20 0.39
LTA4H P09960 1/20 0.39
VDR P11473 1/20 0.39
SRC P12931 1/20 0.39
MAPK1 P28482 1/20 0.39
CTSK P43235 1/20 0.39
SMO Q99835 1/20 0.38
PTPN1 P18031 7/20 0.37
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
GLA P06280 1/20 0.36
KMT2A Q03164 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CNR2 P34972 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 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
SCHEMBL2958592 0.79 RAB9A (0.43) EGFRTYMSLTA4HVDRSRC
SCHEMBL2954632 0.78 PTPN1 (0.43) PTPN1
SCHEMBL2956885 0.75 FABP4 (0.39) PTPN1NPC1RAB9A
SCHEMBL2964227 0.73 PTPN1 (0.38) PTPN1KMT2ANPC1RAB9AKDM4E
SCHEMBL2209548 0.69 HRH4 (0.38) GLAKMT2ANPC1RAB9AALDH1A1
SCHEMBL4188739 0.69 GLA (0.42) EGFRTYMSLTA4HVDRSRC
SCHEMBL2956456 0.68 RAB9A (0.48) KMT2ANPC1RAB9AKDM4EALDH1A1
SCHEMBL2210151 0.67 HDAC1 (0.46)
SCHEMBL2208184 0.66 CTSL (0.40) ACACBACACAKMT2AKDM4EALDH1A1
SCHEMBL11558734 0.66 SMO (0.51) EGFRTYMSLTA4HVDRSRC

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 EGFR 2423/4885TYMS 528/4885LTA4H 4281/4885
US-20060241119-A1 Thio-substituted tricyclic and bicyclic aromatic methanesulfinyl derivatives HTR1A, HTR2A, HTR5A EGFR 2423/4885TYMS 528/4885LTA4H 4281/4885
US-20090105241-A1 THIO-SUBSTITUTED TRICYCLIC AND BICYCLIC AROMATIC METHANESULFINYL DERIVATIVES HTR1A, HTR2A, HTR5A EGFR 2423/4885TYMS 528/4885LTA4H 4281/4885

“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.