SCHEMBL12784309

SCHEMBL12784309

NN=NS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 3/20 0.59
▸ PRSS1 P07477 3/20 0.59
▸ PRSS2 P07478 3/20 0.59
▸ PRSS3 P35030 3/20 0.59
▸ SOS1 Q07889 1/20 0.44
▸ CA1 P00915 4/20 0.43
▸ CA2 P00918 4/20 0.43
▸ MMP2 P08253 2/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ KMT2A Q03164 2/20 0.42
▸ PTGS2 P35354 5/20 0.41
▸ PTGS1 P23219 4/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ CA12 O43570 2/20 0.41
▸ CA9 Q16790 2/20 0.41
▸ CA4 P22748 1/20 0.39
▸ CA7 P43166 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
SCHEMBL18665498 0.74 F2 (0.55) F2PRSS1PRSS2PRSS3SOS1
SCHEMBL7303158 0.74 F2 (0.55) F2PRSS1PRSS2PRSS3SOS1
SCHEMBL1124662 0.71 F2 (0.52) F2PRSS1PRSS2PRSS3SOS1
SCHEMBL31527705 0.70 SOS1 (0.75) SOS1CA1CA2PTGS2PTGS1
SCHEMBL283919 0.70 SOS1 (0.75) SOS1CA1CA2PTGS2PTGS1
SCHEMBL25376416 0.70 F2 (0.50) F2PRSS1PRSS2PRSS3SOS1
SCHEMBL580186 0.70 F2 (0.50) F2PRSS1PRSS2PRSS3SOS1
SCHEMBL7313933 0.70 F2 (0.50) F2PRSS1PRSS2PRSS3CA1
SCHEMBL12662238 0.70 F2 (0.50) F2PRSS1PRSS2PRSS3SOS1
SCHEMBL26037516 0.70 F2 (0.50) F2PRSS1PRSS2PRSS3SOS1

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-7902372-B2 Therapy for obesity; using a secondary amino compound ELI LILLY AND COMPANY (US) 2011-03-08 — — US disclosed
US-20080207701-A1 OPIOID RECEPTOR ANTAGONISTS CHAPPELL MARK DONALD 2008-08-28 — — 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-20080207701-A1 OPIOID RECEPTOR ANTAGONISTS OPRD1, OPRM1, OPRK1 F2 1891/4885PRSS1 656/4885PRSS2 1520/4885

“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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