SCHEMBL4242763

SCHEMBL4242763

NC(CCS(=O)(=O)O)C(S)CCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.45
S1PR1 P21453 1/20 0.45
S1PR3 Q99500 1/20 0.45
ANPEP P15144 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
ERAP2 Q6P179 1/20 0.44
BLM P54132 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
GFER P55789 1/20 0.41
PMP22 Q01453 1/20 0.41
ENPEP Q07075 4/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
ACE P12821 1/20 0.39
CNR2 P34972 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
SCHEMBL4250599 1.00 S1PR2 (0.45) S1PR2S1PR1S1PR3ANPEPERAP1
SCHEMBL4245142 1.00 S1PR2 (0.45) S1PR2S1PR1S1PR3ANPEPERAP1
SCHEMBL4250067 1.00 S1PR2 (0.45) S1PR2S1PR1S1PR3ANPEPERAP1
SCHEMBL4248108 1.00 S1PR2 (0.45) S1PR2S1PR1S1PR3ANPEPERAP1
SCHEMBL4247113 0.86 ENPEP (0.46) ANPEPENPEP
SCHEMBL4245086 0.85 S1PR2 (0.46) S1PR2S1PR1S1PR3ENPEP
SCHEMBL5739019 0.83 S1PR2 (0.46) S1PR2S1PR1S1PR3ANPEPERAP1
SCHEMBL4244029 0.82 S1PR2 (0.46) S1PR2S1PR1S1PR3ANPEPERAP2
SCHEMBL4247379 0.80 CA12 (0.45) KDM4E
SCHEMBL4243992 0.76 ENPEP (0.41) KDM4EALDH1A1LMNAMAPTPMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7582797-B2 Derivatives of 4,4′-dithiobis-(3-aminobutane-1-sulfonates) and compositions comprising the same INSTITUTE NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2009-09-01 US disclosed
US-20060205695-A1 Novel derivatives of 4,4' dithiobis-(3-aminobutane-1-1-sulfonates) and compositions comprising the same INSTITUT NATINAL DE LA SANTE ET DE LA RECHERECHE (INSERM) (FR) 2006-09-14 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 (1 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-20060205695-A1 Novel derivatives of 4,4' dithiobis-(3-aminobutane-1-1-sulfonates) and compositions comprising the same AGTR1, AGTR2, AGT S1PR2 1692/4885S1PR1 1436/4885S1PR3 1113/4885

“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.