SCHEMBL5428461

SCHEMBL5428461

Cc1onc(-c2ccc(C(=O)O)cc2)c1-c1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.73
PTGS1 P23219 9/20 0.73
MT-CO2 P00403 3/20 0.63
CA12 O43570 1/20 0.62
CA1 P00915 1/20 0.62
CA2 P00918 1/20 0.62
LMNA P02545 1/20 0.62
CA3 P07451 1/20 0.62
ADRB2 P07550 1/20 0.62
ADRB1 P08588 1/20 0.62
CYP3A4 P08684 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
CHRM1 P11229 1/20 0.62
ADRA2B P18089 1/20 0.62
CA4 P22748 1/20 0.62
CA6 P23280 1/20 0.62
SLC6A2 P23975 1/20 0.62
PDE4A P27815 1/20 0.62
ADORA1 P30542 1/20 0.62
CA5A P35218 1/20 0.62

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
SCHEMBL5439437 1.00 PTGS2 (0.73) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL5423328 0.90 PTGS2 (0.71) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL5424589 0.86 MKNK1 (0.58) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL14562171 0.85 PTGS2 (0.64) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL1930507 0.85 NPC1 (0.65) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL2277199 0.85 PTGS2 (1.00) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL14562187 0.84 GABRA5 (0.56) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL14562062 0.83 LDHA (0.59) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL14562102 0.83 PTGS2 (0.60) PTGS2PTGS1MT-CO2CA12CA1
SCHEMBL5427092 0.83 PTGS2 (0.80) PTGS2PTGS1MT-CO2CA12CA1

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-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
US-20070060629-A1 Large conductance calcium-activated k channel opener TANABE SEIYAKU CO., LTD. (JP) 2007-03-15 US disclosed
EP-1675585-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2006-07-05 EP disclosed
WO-2005037271-A2 LARGE CONDUCTANCE CALCIUM-ACTIVATED K CHANNEL OPENER TANABE SEIYAKU CO., LTD. (JP) 2005-04-28 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-20070060629-A1 Large conductance calcium-activated k channel opener KCNN3, KCNN1, KCNN2 PTGS2 594/4885PTGS1 558/4885MT-CO2 1536/4885

“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.