SCHEMBL7082335

SCHEMBL7082335

COc1nc(-c2ccc(S(=O)(=O)O)s2)ns1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
PFKFB3 Q16875 2/20 0.31
PFKFB4 Q16877 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
CCR5 P51681 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30

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
SCHEMBL4006614 0.78 PFKFB3 (0.47) PFKFB3CA12CA1CA2CA9
Hydrochloric Acid SCHEMBL27758748 0.78 PFKFB3 (0.47) PFKFB3CA12CA1CA2CA9
SCHEMBL8029209 0.71 F10 (0.42) PFKFB3CA12CA1CA2CA9
SCHEMBL9198944 0.68 L3MBTL1 (0.34) PFKFB3CA12CA1CA2CA9
SCHEMBL3098780 0.68 APP (0.61) MMP2MMP9
SCHEMBL27679133 0.64 CCR1 (0.47) PFKFB3PFKFB4CA12CA1CA2
SCHEMBL4198555 0.64 KDM4E (0.63) PFKFB3PFKFB4MEN1KMT2A
SCHEMBL391587 0.64 PFKFB3 (0.47) PFKFB3CA12CA1CA2CA9
SCHEMBL1416134 0.63 L3MBTL1 (0.46) CA2KMT2A
SCHEMBL2672963 0.63 MEN1 (0.33) PTGS2PFKFB3PFKFB4CCR5MEN1

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-20030158186-A1 Compositions and methods for treating heart failure CYTOKINETICS, INCORPORATED 2003-08-21 US disclosed
WO-2003059265-A2 COMPOSITIONS AND METHODS FOR TREATING HEART FAILURE CYTOKINETICS, INC. (US) 2003-07-24 WO 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-20030158186-A1 Compositions and methods for treating heart failure MYH2, TNNI3, MYLK2 PTGS2 1459/4885PFKFB3 3051/4885PFKFB4 2914/4885

“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.