SCHEMBL4215522

SCHEMBL4215522

COc1ccccc1-c1n[nH]c2cc(NS(=O)(=O)c3cccc(Cl)c3)ccc12

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 12/20 0.55
▸ KDM1A O60341 1/20 0.52
▸ PGR P06401 1/20 0.51
▸ MAP2K7 O14733 4/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ TSHR P16473 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ AURKA O14965 1/20 0.48
▸ SCN9A Q15858 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ BRD4 O60885 1/20 0.47

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
SCHEMBL3968853 0.87 MAP2K4 (0.57) MAP2K4KDM1APGRMAP2K7PKM
SCHEMBL3972513 0.83 LMNA (0.53) MAP2K4ALDH1A1CYP1A2CYP3A4PKM
SCHEMBL3966079 0.83 MAP2K4 (0.57) MAP2K4PGRMAP2K7AURKA
SCHEMBL3966356 0.80 PKM (0.56) MAP2K4PKMKMT2AMEN1BRD4
SCHEMBL3968695 0.80 TP53 (0.58) PKMTSHRNPSR1BRD4
SCHEMBL3966505 0.79 MAP2K4 (0.56) MAP2K4MAP2K7AURKA
SCHEMBL3967750 0.79 MAP2K4 (0.56) MAP2K4MAP2K7AURKAKMT2AMEN1
SCHEMBL3971858 0.78 MAP2K4 (0.56) MAP2K4PGRMAP2K7ALDH1A1PKM
SCHEMBL3966208 0.78 MAP2K4 (0.56) MAP2K4MAP2K7ALDH1A1AURKA
SCHEMBL3971863 0.77 MAP2K4 (0.66) MAP2K4MAP2K7

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 101/4885KDM1A 2277/4885PGR 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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