SCHEMBL3484110

SCHEMBL3484110

COc1cc(F)c2cc(C(=O)O)sc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 6/20 0.42
TBXAS1 P24557 1/20 0.41
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
PRNP P04156 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
PPARG P37231 1/20 0.39
HTT P42858 1/20 0.39
MAPK10 P53779 1/20 0.39
NCOA2 Q15596 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GPR35 Q9HC97 3/20 0.38
SHMT2 P34897 1/20 0.38
BCL2L1 Q07817 1/20 0.38
PLK4 O00444 1/20 0.37
AURKA O14965 1/20 0.37
DAPK3 O43293 1/20 0.37
CHEK2 O96017 1/20 0.37

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
SCHEMBL18490289 0.84 TBXAS1 (0.41) STING1TBXAS1KDM4EGLAPRNP
SCHEMBL30850939 0.80 STING1 (0.66) STING1
SCHEMBL4805937 0.75 STING1 (0.43) STING1GPR35BCL2L1PLK4AURKA
SCHEMBL13737109 0.75 GPR35 (0.46) TBXAS1KDM4EGPR35BCL2L1PLK4
SCHEMBL26949623 0.74 STING1 (0.54) STING1TBXAS1GPR35
SCHEMBL30682860 0.74 STING1 (0.54) STING1TBXAS1GPR35
SCHEMBL7433969 0.74 STING1 (0.72) STING1TBXAS1KDM4ECCNCCDK8
SCHEMBL18490302 0.73 OPRD1 (0.44) KDM4EGLAPRNPTSHRMAPK1
SCHEMBL25274256 0.73 STING1 (0.53) STING1TBXAS1
SCHEMBL914782 0.72 BCL2L1 (0.54) KDM4EGLAHTTGPR35BCL2L1

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
EP-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP disclosed
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US disclosed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 US disclosed
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 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-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS STING1 2169/4885TBXAS1 3083/4885KDM4E 1076/4885

“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.