SCHEMBL4172912

SCHEMBL4172912

CC(=O)SCC(CC(=O)O)c1ccsc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.37
MME P08473 2/20 0.35
ACE P12821 1/20 0.35
GABBR2 O75899 2/20 0.35
GABBR1 Q9UBS5 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
NFKB1 P19838 1/20 0.33
DRD3 P35462 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL8516792 0.80 GABBR2 (0.56) MMEACEGABBR2GABBR1MAPT
SCHEMBL27497278 0.76 ITGB3 (0.41) MMEACEGABBR2GABBR1MAPT
SCHEMBL28158048 0.74 GABBR2 (0.38) ALOX5GABBR2GABBR1CHRNB2CHRNB4
SCHEMBL5199435 0.73 FFAR1 (0.47) ALOX5MMECHRNB2CHRNB4CHRNA3
SCHEMBL2039432 0.72 CNR1 (0.43) ALOX5GABBR2GABBR1LMNACYP3A4
SCHEMBL27516185 0.71 CTSA (0.46) GABBR2GABBR1
SCHEMBL3897980 0.71 ALOX5 (0.45) ALOX5GABBR2GABBR1CHRNB2CHRNB4
SCHEMBL4450623 0.71 ALOX5 (0.41) ALOX5GABBR2GABBR1CHRNB2CHRNB4
SCHEMBL4450617 0.71 ALOX5 (0.41) ALOX5GABBR2GABBR1CHRNB2CHRNB4
SCHEMBL29110953 0.70 ALOX5 (0.41) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247608-B2 Aminoacid derivatives containing a disulfanyl group in the form of mixed disulfanyl and aminopeptidase N inhibitors PHARMALEADS (FR) 2012-08-21 US disclosed
US-8247609-B2 Aminoacid derivatives containing a disulfanyl group in the form of mixed disulfanyl and aminopeptidase N inhibitors Pharamleads (FR) 2012-08-21 US disclosed
US-20090131509-A1 Aminoacid Derivatives Containing a Disulfanyl Group in the form of Mixed Disulfanyl and Aminopeptidase N Inhibitors PHARMALEADS (FR) 2009-05-21 US disclosed
US-20090012153-A1 AMINOACID DERIVATIVES CONTAINING A DISULFANYL GROUP IN THE FORM OF MIXED DISULFANYL AND AMINOPEPTIDASE N INHIBITORS PHARMALEADS (FR) 2009-01-08 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 (2 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-20090131509-A1 Aminoacid Derivatives Containing a Disulfanyl Group in the form of Mixed Disulfanyl and Aminopeptidase N Inhibitors HRH4, OPRL1, CNR2 ALOX5 1221/4885MME 187/4885ACE 512/4885
US-20090012153-A1 AMINOACID DERIVATIVES CONTAINING A DISULFANYL GROUP IN THE FORM OF MIXED DISULFANYL AND AMINOPEPTIDASE N INHIBITORS HRH4, CNR2, OPRM1 ALOX5 1180/4885MME 247/4885ACE 567/4885

“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.