SCHEMBL3017065

SCHEMBL3017065

Cn1c([C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)n[nH]c1=S

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 14/20 0.66
KMT2A Q03164 1/20 0.54
CYP3A4 P08684 1/20 0.53
ADAMTS5 Q9UNA0 1/20 0.46
MMP2 P08253 1/20 0.46
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL4763070 1.00 S1PR1 (0.66) S1PR1KMT2ACYP3A4ADAMTS5MMP2
SCHEMBL2998253 0.80 S1PR1 (1.00) S1PR1ADAMTS5MMP2
SCHEMBL3959994 0.80 S1PR1 (1.00) S1PR1ADAMTS5MMP2
SCHEMBL3009963 0.79 S1PR1 (0.78) S1PR1ADAMTS5MMP2
SCHEMBL3009959 0.79 S1PR1 (0.78) S1PR1ADAMTS5MMP2
SCHEMBL2998776 0.78 S1PR1 (1.00) S1PR1ADAMTS5MMP2
SCHEMBL13211155 0.76 S1PR1 (1.00) S1PR1ADAMTS5MMP2
SCHEMBL3020767 0.76 S1PR1 (1.00) S1PR1ADAMTS5MMP2
SCHEMBL3008715 0.76 S1PR1 (0.73) S1PR1ADAMTS5MMP2
SCHEMBL2998672 0.75 S1PR1 (1.00) S1PR1ADAMTS5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197749-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB 2010-08-05 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-20100197749-A1 CHEMICAL COMPOUNDS EDF1, ECE1, EDNRA S1PR1 945/4885KMT2A 2713/4885CYP3A4 2082/4885

“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.