SCHEMBL4177024

SCHEMBL4177024

O=C(O)CC(CS)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 4/20 0.66
GABBR1 Q9UBS5 4/20 0.66
MAPT P10636 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
RECQL P46063 1/20 0.49
LMNA P02545 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP3A4 P08684 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
NFKB1 P19838 1/20 0.46
DRD3 P35462 1/20 0.46
BLM P54132 1/20 0.46
THRB P10828 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL503819 0.87 GABBR2 (0.76) GABBR2GABBR1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL7092228 0.85 GABBR2 (0.73) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL6734410 0.85 GABBR2 (0.73) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL7401437 0.84 CYP1A2 (0.55) GABBR2GABBR1LMNACYP2C19CYP1A2
SCHEMBL7419907 0.84 GABBR2 (0.61) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL27454807 0.82 GABBR2 (0.59) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL3728800 0.81 GABBR2 (0.68) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL7596100 0.81 MME (0.56) GABBR2GABBR1MAPTMEN1KMT2A
SCHEMBL9677711 0.79 HTR2A (0.43) GABBR2GABBR1CYP1A2CYP2D6TSHR
SCHEMBL2484805 0.79 GABBR2 (0.66) GABBR2GABBR1MAPTMEN1KMT2A

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 GABBR2 879/4885GABBR1 775/4885MAPT 3773/4885
US-20090012153-A1 AMINOACID DERIVATIVES CONTAINING A DISULFANYL GROUP IN THE FORM OF MIXED DISULFANYL AND AMINOPEPTIDASE N INHIBITORS HRH4, CNR2, OPRM1 GABBR2 834/4885GABBR1 760/4885MAPT 3737/4885

“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.