SCHEMBL3969942

SCHEMBL3969942

Cc1ccc(S(=O)(=O)Nc2ccc3c(-c4ccccc4Cl)n[nH]c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 8/20 0.54
▸ PTPRC P08575 1/20 0.50
▸ ITK Q08881 2/20 0.49
▸ AURKA O14965 2/20 0.47
▸ AURKB Q96GD4 1/20 0.47
▸ ESR1 P03372 1/20 0.46
▸ CYP19A1 P11511 1/20 0.46
▸ MAP2K7 O14733 2/20 0.46
▸ USP2 O75604 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ NOD2 Q9HC29 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ SGK1 O00141 2/20 0.45
▸ MAPK8 P45983 1/20 0.45
▸ MAPK10 P53779 1/20 0.45

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
SCHEMBL3963379 0.91 MAP2K4 (0.56) MAP2K4AURKAESR1CYP19A1MAP2K7
SCHEMBL3966208 0.91 MAP2K4 (0.56) MAP2K4ITKAURKAMAP2K7ALDH1A1
SCHEMBL3973325 0.90 MAP2K4 (0.51) MAP2K4AURKAMAP2K7LMNAMAPT
SCHEMBL3967750 0.90 MAP2K4 (0.56) MAP2K4ITKAURKAMAP2K7
SCHEMBL3967980 0.89 MAP2K4 (0.62) MAP2K4ITKMAP2K7
SCHEMBL3971858 0.89 MAP2K4 (0.56) MAP2K4ITKAURKAAURKBESR1
SCHEMBL3968449 0.88 MEN1 (0.53) MAP2K4AURKAMAP2K7ALDH1A1
SCHEMBL3965414 0.88 MAP2K4 (0.57) MAP2K4AURKAMAP2K7ALDH1A1LMNA
SCHEMBL3966924 0.87 MAP2K4 (0.57) MAP2K4AURKAMAP2K7ALDH1A1LMNA
SCHEMBL3969461 0.87 MEN1 (0.53) MAP2K4ITKALDH1A1LMNAMAPT

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 7 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
CN-101243051-A P38 MAP kinase inhibitors and methods for using the same HOFFMANN LA ROCHE (CH) 2008-08-13 — — CN 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 101/4885PTPRC 587/4885ITK 2336/4885

“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.

Send feedback