SCHEMBL3966079

SCHEMBL3966079

COc1cccc(S(=O)(=O)Nc2ccc3c(-c4ccccc4Cl)n[nH]c3c2)c1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 10/20 0.57
▸ ITK Q08881 1/20 0.54
▸ PGR P06401 3/20 0.50
▸ AURKA O14965 2/20 0.50
▸ KDR P35968 1/20 0.50
▸ AURKB Q96GD4 1/20 0.50
▸ KEAP1 Q14145 2/20 0.49
▸ NFE2L2 Q16236 2/20 0.49
▸ MAP2K7 O14733 3/20 0.48
▸ GAA P10253 1/20 0.46

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
SCHEMBL3971858 0.90 MAP2K4 (0.56) MAP2K4ITKPGRAURKAAURKB
SCHEMBL3966505 0.87 MAP2K4 (0.56) MAP2K4AURKAMAP2K7
SCHEMBL3967750 0.87 MAP2K4 (0.56) MAP2K4ITKAURKAMAP2K7
SCHEMBL3968853 0.87 MAP2K4 (0.57) MAP2K4PGRAURKAKDRAURKB
SCHEMBL3966208 0.87 MAP2K4 (0.56) MAP2K4ITKAURKAKDRMAP2K7
SCHEMBL3972513 0.86 LMNA (0.53) MAP2K4KEAP1NFE2L2GAA
SCHEMBL3971863 0.85 MAP2K4 (0.66) MAP2K4MAP2K7
SCHEMBL3971253 0.85 TP53 (0.56) MAP2K4GAA
SCHEMBL3973325 0.83 MAP2K4 (0.51) MAP2K4AURKAMAP2K7
SCHEMBL3969942 0.83 MAP2K4 (0.54) MAP2K4ITKAURKAAURKBMAP2K7

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-7517901-B2 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2009-04-14 — — US disclosed
US-7517901-B2 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2009-04-14 — — US disclosed
US-7517901-B2 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC (US) 2009-04-14 — — US disclosed
US-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 — — US disclosed
US-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 — — US disclosed
US-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same ROCHE PALO ALTO LLC 2007-03-01 — — US 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-20070049633-A1 p38 MAP kinase inhibitors and methods for using the same MAPK1, MAP3K1, MAP3K20 MAP2K4 101/4885ITK 2336/4885PGR 998/4885

“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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