SCHEMBL13430482

SCHEMBL13430482

CS(=O)(=O)c1cnn(-c2ccc(S(=O)(=O)O)cc2)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.48
PTGS1 P23219 5/20 0.48
ALDH1A1 P00352 4/20 0.41
PKM P14618 1/20 0.41
TSHR P16473 2/20 0.41
NT5E P21589 1/20 0.41
KDM4E B2RXH2 1/20 0.39
CA12 O43570 7/20 0.39
CA1 P00915 7/20 0.39
CA2 P00918 7/20 0.39
CA9 Q16790 7/20 0.39
RAB9A P51151 2/20 0.37
RIPK2 O43353 1/20 0.37
LOX P28300 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
HSP90AA1 P07900 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36

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
SCHEMBL10772646 0.75 XDH (0.64) PTGS2PTGS1KDM4EXDH
SCHEMBL10772634 0.75 RIPK2 (0.55) ALDH1A1KDM4ERAB9ARIPK2SMN1; SMN2
SCHEMBL13430490 0.72 XDH (0.41) ALDH1A1PKMRAB9ARIPK2SMN1; SMN2
SCHEMBL23718278 0.72 ALDH1A1 (0.75) ALDH1A1TSHRRAB9ASMN1; SMN2NPC1
SCHEMBL5408685 0.71 PTGS2 (0.51) PTGS2PTGS1CA12CA1CA2
SCHEMBL5408682 0.71 PTGS2 (0.51) PTGS2PTGS1CA12CA1CA2
SCHEMBL15316250 0.71 PTGS2 (0.46) PTGS2PTGS1ALDH1A1PKMTSHR
SCHEMBL6250200 0.70 POLB (0.55) ALDH1A1TSHRNT5EKDM4ECA12
SCHEMBL1245336 0.70 KMT2A (0.62) PTGS2PTGS1KDM4EXDH
SCHEMBL5021191 0.68 CCR1 (0.47) PTGS2PTGS1

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-20100063262-A1 PROCESS FOR PRODUCING 5-AMINOPYRAZOLE DERIVATIVE, AND AZO DYE FUJIFILM CORPORATION (JP) 2010-03-11 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-20100063262-A1 PROCESS FOR PRODUCING 5-AMINOPYRAZOLE DERIVATIVE, AND AZO DYE H1-5, CYP3A5, IL5 PTGS2 674/4885PTGS1 804/4885ALDH1A1 134/4885

“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.