SCHEMBL5371941

SCHEMBL5371941

CCOC(=O)c1nn(-c2ccc(S(N)(=O)=O)cc2)c2c1CCc1cc(O)ccc1-2

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 10/20 0.50
▸ CA1 P00915 7/20 0.50
▸ CA2 P00918 7/20 0.50
▸ CA4 P22748 6/20 0.50
▸ CCNA2 P20248 4/20 0.50
▸ CDK2 P24941 4/20 0.50
▸ CCNA1 P78396 4/20 0.50
▸ CHRNA7 P36544 2/20 0.50
▸ IKBKB O14920 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ CA12 O43570 1/20 0.45
▸ RAD52 P43351 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HPGD P15428 1/20 0.44

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
SCHEMBL6792114 0.93 CCNA2 (0.50) CA9CA1CA2CA4CCNA2
SCHEMBL6790709 0.88 CCNA2 (0.49) CA9CA1CA2CA4CCNA2
SCHEMBL6791972 0.86 ALDH1A1 (0.53) CA1CA2CCNA2CDK2CCNA1
SCHEMBL6793005 0.86 CCNA2 (0.65) CCNA2CDK2CCNA1RAD52KDM4E
SCHEMBL5258632 0.85 PTGS2 (0.52) CA9CA1CA2CA4CCNA2
SCHEMBL5254020 0.85 CCNA2 (0.50) CA9CA1CA2CA4CCNA2
SCHEMBL6660718 0.81 CA9 (0.55) CA9CA1CA2CA4CCNA2
SCHEMBL6352140 0.81 RAD52 (0.56) CA9CA1CA2CA4CCNA2
Hydrochloric Acid SCHEMBL6800512 0.80 PTGS2 (0.51) CA9CA1CA2CA4CCNA2
SCHEMBL6793613 0.80 CCNA2 (0.52) CA9CA1CA2CCNA2CDK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7211597-B2 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2007-05-01 — — US disclosed
EP-1476431-A1 TRICYCLIC PYRAZOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-11-17 — — EP disclosed
EP-1427706-A1 SUBSTITUTED PYRAZOLO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2004-06-16 — — EP disclosed
WO-2003070706-A1 TRICYCLIC PYRAZOLE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-08-28 — — WO disclosed
US-20030114432-A1 Substituted pyrazolyl compounds for the treatment of inflammation PHARMACIA CORPORATION 2003-06-19 — — US disclosed
WO-2003024936-A1 SUBSTITUTED PYRAZOLO COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2003-03-27 — — 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-20030114432-A1 Substituted pyrazolyl compounds for the treatment of inflammation IRAK4, IL1B, IRAK2 CA9 2086/4885CA1 3517/4885CA2 3534/4885

“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.

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