SCHEMBL5484371

SCHEMBL5484371

COc1nc(C)nc(CN(C(N)=O)S(=O)(=O)c2ccccc2C(=O)O)n1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.40
PRSS1 P07477 3/20 0.40
PRSS2 P07478 3/20 0.40
PRSS3 P35030 3/20 0.40
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
TAS2R14 Q9NYV8 4/20 0.34
FABP4 P15090 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
PTGES O14684 1/20 0.34
TAS2R8 Q9NYW2 1/20 0.34
CXCR3 P49682 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL4284694 0.80 F2 (0.42) F2PRSS1PRSS2PRSS3TSHR
SCHEMBL28597888 0.74 ALDH1A1 (0.32) TSHRSMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL1827311 0.73 CA12 (0.42) F2PRSS1PRSS2PRSS3SMN1; SMN2
SCHEMBL28609059 0.73 CA1 (0.34) TSHRALDH1A1CA9TAS2R14
SCHEMBL4291049 0.72 MEN1 (0.38) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL8848745 0.70 CA1 (0.46) F2PRSS1PRSS2PRSS3ALDH1A1
SCHEMBL9247098 0.69 ALDH1A1 (0.34) F2PRSS1PRSS2PRSS3TSHR
SCHEMBL7693190 0.69 CA1 (0.43) F2PRSS1PRSS2PRSS3SMN1; SMN2
SCHEMBL7934327 0.68 CA1 (0.45) F2PRSS1PRSS2PRSS3SMN1; SMN2
SCHEMBL66383 0.68 CA1 (0.42) F2PRSS1PRSS2PRSS3SMN1; SMN2

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-20070134283-A1 Surfactant-based composition and associated methods GENERAL ELECTRIC COMPANY (US) 2007-06-14 US disclosed
US-7074743-B1 Herbicidal composition comprising 4-iodo-2-[3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)ureidosulfonyl]benzoic esters HOECHST SCHERING AGREVO GMBH (DE) 2006-07-11 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-20070134283-A1 Surfactant-based composition and associated methods SGMS2, SGMS1, GEMIN4 F2 2420/4885PRSS1 2704/4885PRSS2 3608/4885

“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.