SCHEMBL14950534

SCHEMBL14950534

Cc1ccc(-c2cc(NS(=O)(=O)c3ccccn3)c(C(=O)O)s2)cc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 4/20 0.58
▸ KDM4E B2RXH2 2/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.58
▸ ACLY P53396 1/20 0.51
▸ METAP2 P50579 1/20 0.49
▸ MMP2 P08253 2/20 0.48

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
SCHEMBL3809703 0.92 NPSR1 (0.56) NPSR1KDM4ERXFP1ACLYMMP2
SCHEMBL2158247 0.89 NPSR1 (0.60) NPSR1KDM4EACLY
SCHEMBL2158020 0.89 ACLY (0.65) NPSR1ACLYMMP2
SCHEMBL2158415 0.85 PTPN1 (0.51) NPSR1KDM4ERXFP1ACLYMMP2
SCHEMBL2157967 0.82 NPSR1 (0.84) NPSR1KDM4ERXFP1ACLY
SCHEMBL2158232 0.81 NPSR1 (0.61) NPSR1KDM4ERXFP1ACLY
SCHEMBL3809704 0.78 MMP2 (0.49) NPSR1KDM4ERXFP1METAP2MMP2
SCHEMBL2255621 0.77 NPSR1 (0.57) NPSR1KDM4ERXFP1ACLY
SCHEMBL2158139 0.76 NPSR1 (0.83) NPSR1KDM4ERXFP1ACLY
SCHEMBL2157980 0.76 NPSR1 (0.61) NPSR1KDM4ERXFP1ACLY

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-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) 2013-05-16 — — 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-20130123242-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OR PREVENTION OF FLAVIVIRUS INFECTIONS HAVCR2, ZC3HAV1, MAVS NPSR1 2975/4885KDM4E 3220/4885RXFP1 4410/4885

“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.

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