SCHEMBL3483747

SCHEMBL3483747

Cc1c(S(=O)(=O)NC(c2ccc(C#N)nc2)P(=O)(O)O)sc2cc(OCCCN)c(OCCCN)cc12

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PFKFB4 Q16877 1/20 0.33
CHEK1 O14757 4/20 0.31
KCNH2 Q12809 4/20 0.31
NUAK1 O60285 1/20 0.31
CHEK2 O96017 1/20 0.31
RPS6KB1 P23443 1/20 0.31
FLT3 P36888 1/20 0.31
BLK P51451 1/20 0.31
PRKAG1 P54619 1/20 0.31
PRKAA1 Q13131 1/20 0.31
PRKAB1 Q9Y478 1/20 0.31
PFKFB3 Q16875 1/20 0.31

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
Hydrochloric Acid SCHEMBL3483793 0.99 PFKFB4 (0.33) PFKFB4CHEK1KCNH2NUAK1CHEK2
Trifluoroacetic Acid SCHEMBL3484096 0.94 CACNA1B (0.34) PFKFB4PFKFB3
SCHEMBL3483565 0.86 TRPV4 (0.32)
Hydrochloric Acid SCHEMBL3483594 0.85 TRPV4 (0.31)
SCHEMBL3483637 0.82 TRPV4 (0.32) PFKFB4PFKFB3
SCHEMBL13032371 0.82 CHEK1 (0.30) CHEK1KCNH2NUAK1CHEK2RPS6KB1
Trifluoroacetic Acid SCHEMBL3480474 0.82 CACNA1B (0.32) PFKFB4PFKFB3
SCHEMBL14931203 0.79 CHEK1 (0.30) CHEK1KCNH2NUAK1CHEK2RPS6KB1
Trifluoroacetic Acid SCHEMBL3480462 0.78 PFKFB4 (0.31) PFKFB4PFKFB3
SCHEMBL3483361 0.77 TRPV4 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP claimed
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US claimed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 US claimed

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-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS PFKFB4 577/4885CHEK1 3556/4885KCNH2 1960/4885

“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.