SCHEMBL4416979

SCHEMBL4416979

COc1cc2c(c(OC)c1)C(c1cccc(OC(F)(F)F)c1)N(S(=O)(=O)c1ccc(O)c(C(=O)O)c1)CC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 2/20 0.46
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MMP1 P03956 3/20 0.38
MMP2 P08253 3/20 0.38
MMP9 P14780 3/20 0.38
MMP12 P39900 3/20 0.38
MMP14 P50281 3/20 0.38
MMP15 P51511 3/20 0.38
MMP16 P51512 3/20 0.38
MMP26 Q9NRE1 3/20 0.38
MMP7 P09237 2/20 0.38
CA1 P00915 7/20 0.38
CA2 P00918 7/20 0.38
CA9 Q16790 7/20 0.38
CA14 Q9ULX7 7/20 0.38
CA7 P43166 2/20 0.37
CA12 O43570 1/20 0.36
POLB P06746 1/20 0.36
FKBP1A P62942 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
SCHEMBL13972857 0.87 TAS2R14 (0.49) TAS2R14NPSR1L3MBTL1MMP1MMP2
SCHEMBL4552332 0.87 TAS2R14 (0.49) TAS2R14NPSR1L3MBTL1MMP1MMP2
SCHEMBL4410698 0.83 NPSR1 (0.41) TAS2R14NPSR1L3MBTL1CA1CA2
SCHEMBL4413279 0.83 TAS2R14 (0.45) TAS2R14MMP1MMP2MMP9MMP12
SCHEMBL13973166 0.83 TAS2R14 (0.45) TAS2R14MMP1MMP2MMP9MMP12
SCHEMBL4414695 0.83 CA1 (0.49) TAS2R14NPSR1L3MBTL1CA1CA2
SCHEMBL4425699 0.82 TAS2R14 (0.41) TAS2R14NPSR1L3MBTL1MMP2MMP9
SCHEMBL4414803 0.81 VCAM1 (0.41) TAS2R14NPSR1L3MBTL1CA1CA2
SCHEMBL4422262 0.81 NPSR1 (0.40) TAS2R14NPSR1L3MBTL1CA1CA2
SCHEMBL4425654 0.80 TAS2R14 (0.43) TAS2R14L3MBTL1MMP1MMP2MMP9

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
EP-1663983-B1 N-SUBSTITUTED, 6,8-DIALKOXY-1,2,3,4-TETRAHYDRO-1H-ISOQUINOLINE AS POTASSIUM CHANNELS MODULATORS 4SC AG (DE) 2009-01-21 EP disclosed
US-20050070570-A1 Novel potassium channels modulators 4SC AG (DE) 2005-03-31 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-20050070570-A1 Novel potassium channels modulators HCN4, KCNA4, KCNN4 TAS2R14 514/4885NPSR1 155/4885L3MBTL1 2533/4885

“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.