SCHEMBL5435322

SCHEMBL5435322

Cc1onc(-c2ccccc2)c1-c1ccc(C(=O)NCC(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.58
PTGS1 P23219 5/20 0.58
MT-CO2 P00403 3/20 0.56
NR4A2 P43354 1/20 0.55
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
LMNA P02545 1/20 0.52
CA3 P07451 1/20 0.52
ADRB2 P07550 1/20 0.52
ADRB1 P08588 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CHRM1 P11229 1/20 0.52
ADRA2B P18089 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
SLC6A2 P23975 1/20 0.52
PDE4A P27815 1/20 0.52
ADORA1 P30542 1/20 0.52

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
SCHEMBL14562125 0.90 PTGS2 (0.55) PTGS2PTGS1MT-CO2NR4A2CA12
SCHEMBL5425155 0.90 PTGS2 (0.55) PTGS2PTGS1MT-CO2NR4A2CA12
SCHEMBL14562106 0.89 PTGS2 (0.53) PTGS2PTGS1MT-CO2NR4A2CA12
SCHEMBL14562178 0.87 GABRA5 (0.53) PTGS2PTGS1MT-CO2NR4A2CA12
SCHEMBL14562154 0.86 MAPK8 (0.55) PTGS2PTGS1MT-CO2NR4A2CA12
SCHEMBL14562138 0.85 HDAC6 (0.57) PTGS2PTGS1MT-CO2NR4A2GABRA5
SCHEMBL5428473 0.85 GABRA5 (0.55) PTGS2PTGS1MT-CO2NR4A2CA12
SCHEMBL14562141 0.85 GABRA5 (0.62) PTGS2PTGS1MT-CO2NR4A2CA12
SCHEMBL5808848 0.84 PTGS2 (0.53) PTGS2PTGS1MT-CO2NR4A2CA12
SCHEMBL14562121 0.84 PTGS2 (0.53) PTGS2PTGS1MT-CO2NR4A2CA12

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.