SCHEMBL6372136

SCHEMBL6372136

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

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.82
PTGS1 P23219 6/20 0.82
CA9 Q16790 3/20 0.68
PDPK1 O15530 3/20 0.68
CA1 P00915 2/20 0.68
CA2 P00918 2/20 0.68
CYP2C9 P11712 2/20 0.68
ABCB11 O95342 2/20 0.68
PTGES O14684 1/20 0.68
HDAC3 O15379 1/20 0.68
CA12 O43570 1/20 0.68
PDE5A O76074 1/20 0.68
MT-CO2 P00403 1/20 0.68
LMNA P02545 1/20 0.68
CA3 P07451 1/20 0.68
CYP3A4 P08684 1/20 0.68
ALOX5 P09917 1/20 0.68
ADORA3 P0DMS8 1/20 0.68
CYP2D6 P10635 1/20 0.68
ADRB3 P13945 1/20 0.68

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
SCHEMBL213150 0.90 PTGS2 (1.00) PTGS2PTGS1CA9PDPK1CA1
SCHEMBL5423345 0.89 PTGS2 (0.73) PTGS2PTGS1CA9PDPK1CA1
SCHEMBL6339098 0.88 PTGS2 (0.72) PTGS2PTGS1CA9PDPK1CA1
SCHEMBL2602400 0.85 PTGS2 (0.80) PTGS2PTGS1CA9PDPK1CA1
SCHEMBL212919 0.84 CYP2C9 (0.90) PTGS2PTGS1CA9PDPK1CA1
SCHEMBL5430454 0.84 PTGS2 (0.71) PTGS2PTGS1CA9PDPK1CA1
SCHEMBL5424001 0.83 PTGS2 (0.70) PTGS2PTGS1CA9PDPK1CA1
SCHEMBL3869967 0.82 PTGS2 (0.68) PTGS2PTGS1CA9PDPK1CA1
SCHEMBL27476191 0.81 CA9 (0.76) PTGS2PTGS1CA9PDPK1CA1
Celecoxib SCHEMBL3669597 0.81 PTGS2 (1.00) PTGS2PTGS1CA9PDPK1CA1

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
US-20050075359-A1 Large conductance calcium-activated K channel opener TANABE SEIYAKU CO., LTD. (JP) 2005-04-07 US claimed
EP-1400243-A1 Calcium-activated K channel activator TANABE SEIYAKU CO., LTD. (JP) 2004-03-24 EP claimed

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-20050075359-A1 Large conductance calcium-activated K channel opener KCNN3, KCNN2, KCNN1 PTGS2 806/4885PTGS1 760/4885CA9 3219/4885

“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.