SCHEMBL5432147

SCHEMBL5432147

Cc1ccc(-c2cc(CC#N)nn2-c2ccc(S(N)(=O)=O)cc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.80
CA9 Q16790 9/20 0.73
CA1 P00915 8/20 0.73
CA2 P00918 8/20 0.73
PDPK1 O15530 3/20 0.61
CYP2C9 P11712 2/20 0.61
PTGS1 P23219 2/20 0.61
PTGES O14684 1/20 0.61
HDAC3 O15379 1/20 0.61
CA12 O43570 1/20 0.61
PDE5A O76074 1/20 0.61
ABCB11 O95342 1/20 0.61
MT-CO2 P00403 1/20 0.61
LMNA P02545 1/20 0.61
CA3 P07451 1/20 0.61
CYP3A4 P08684 1/20 0.61
ALOX5 P09917 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
CYP2D6 P10635 1/20 0.61
ADRB3 P13945 1/20 0.61

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
SCHEMBL5428444 0.89 PTGS2 (0.71) PTGS2CA9CA1CA2PDPK1
SCHEMBL6315704 0.89 PTGS2 (1.00) PTGS2CA9CA1CA2PDPK1
SCHEMBL6534040 0.89 PTGS2 (0.80) PTGS2CA9CA1CA2PTGS1
SCHEMBL6372144 0.86 PTGS2 (0.80) PTGS2CA9CA1CA2PDPK1
SCHEMBL5420999 0.85 PTGS2 (1.00) PTGS2CA9CA1CA2PDPK1
SCHEMBL3866594 0.85 CA9 (1.00) PTGS2CA9CA1CA2PDPK1
SCHEMBL10205482 0.85 PTGS2 (0.78) PTGS2CA9CA1CA2PDPK1
SCHEMBL6516247 0.84 PTGS2 (0.72) PTGS2CA9CA1CA2PDPK1
SCHEMBL6378507 0.84 PTGS2 (0.77) PTGS2CA9CA1CA2PDPK1
SCHEMBL6350193 0.82 PTGS2 (0.78) PTGS2CA9CA1CA2PDPK1

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 4 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
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 594/4885CA9 1406/4885CA1 377/4885

“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.