SCHEMBL3971858

SCHEMBL3971858

COc1ccc(S(=O)(=O)Nc2ccc3c(-c4ccccc4Cl)n[nH]c3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 4/20 0.56
▸ ITK Q08881 1/20 0.51
▸ BRD4 O60885 1/20 0.50
▸ HPGD P15428 1/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ CYP19A1 P11511 1/20 0.49
▸ AURKA O14965 2/20 0.49
▸ AURKB Q96GD4 1/20 0.49
▸ PRKAB2 O43741 1/20 0.47
▸ PRKAG1 P54619 1/20 0.47
▸ PRKAA2 P54646 1/20 0.47
▸ PRKAA1 Q13131 1/20 0.47
▸ PRKAG3 Q9UGI9 1/20 0.47
▸ PRKAG2 Q9UGJ0 1/20 0.47
▸ PRKAB1 Q9Y478 1/20 0.47
▸ PGR P06401 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ CYP17A1 P05093 1/20 0.46
▸ SQSTM1 Q13501 1/20 0.46
▸ KEAP1 Q14145 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
SCHEMBL3966079 0.90 MAP2K4 (0.57) MAP2K4ITKAURKAAURKBPGR
SCHEMBL3969942 0.89 MAP2K4 (0.54) MAP2K4ITKESR1CYP19A1AURKA
SCHEMBL3963379 0.89 MAP2K4 (0.56) MAP2K4BRD4ESR1CYP19A1AURKA
SCHEMBL3966208 0.88 MAP2K4 (0.56) MAP2K4ITKAURKAMAP2K7KIT
SCHEMBL3972513 0.88 LMNA (0.53) MAP2K4PKMKEAP1NFE2L2ALDH1A1
SCHEMBL3971241 0.87 MAP2K4 (0.48) MAP2K4AURKAMAP2K7
SCHEMBL3967980 0.87 MAP2K4 (0.62) MAP2K4ITKMAP2K7
SCHEMBL3971253 0.87 TP53 (0.56) MAP2K4HPGDPKMALDH1A1
SCHEMBL3968449 0.85 MEN1 (0.53) MAP2K4AURKAPKMMAP2K7ALDH1A1
SCHEMBL3965414 0.85 MAP2K4 (0.57) MAP2K4HPGDAURKAMAP2K7ALDH1A1

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 2336/4885BRD4 1764/4885

“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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