SCHEMBL3421608

SCHEMBL3421608

O=S(=O)(Oc1ccc([S+](c2ccccc2)c2ccc(OS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc1)c1c(F)c(F)c(F)c(F)c1F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL2437600 0.96 CA1 (0.33) CA1CA2TDP1
SCHEMBL2437564 0.94 CA1 (0.33) CA1CA2TDP1
SCHEMBL2437010 0.88 MEN1 (0.31)
Trifluoromethanesulfonic Acid SCHEMBL3422375 0.88 CA1 (0.34) CA1CA2TDP1
SCHEMBL2438995 0.87 MEN1 (0.32)
SCHEMBL2439557 0.87 CA1 (0.34) CA1CA2TDP1
SCHEMBL4839664 0.87 CA1 (0.36) CA1CA2TDP1
SCHEMBL1772329 0.86 PIK3CD (0.39) CA1CA2PIK3CDPIK3CAPIK3CB
SCHEMBL2437745 0.85 TDP1 (0.37) CA1CA2TDP1
SCHEMBL4423397 0.84 TDP1 (0.40) CA1CA2TDP1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070111138-A1 Photoactive compounds MERCK PATENT GMBH (DE) 2007-05-17 US claimed
US-9146467-B2 Coating compositions MERCK PATENT GMBH (DE) 2015-09-29 US disclosed
US-20130236833-A1 COATING COMPOSITIONS AZ ELECTRONIC MATERIALS USA CORP. (US) 2013-09-12 US disclosed
US-8455176-B2 Coating composition AZ ELECTRONIC MATERIALS USA CORP. (US) 2013-06-04 US disclosed
US-20100119972-A1 COATING COMPOSITION MERCK PATENT GMBH (DE) 2010-05-13 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-20100119972-A1 COATING COMPOSITION S100A9, CAPG, C5 CA1 382/4885CA2 2450/4885PIK3CD 873/4885

“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.