SCHEMBL3968943

SCHEMBL3968943

O=S(=O)(Nc1ccc2c(-c3ccccc3Cl)n[nH]c2c1)c1cccc(C(F)(F)F)c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 14/20 0.58
▸ MAP2K7 O14733 4/20 0.50
▸ NR3C1 P04150 1/20 0.47
▸ PGR P06401 1/20 0.47
▸ AR P10275 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ HSD17B2 P37059 1/20 0.47
▸ TOP2A P11388 1/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ AURKA O14965 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
SCHEMBL3966924 0.90 MAP2K4 (0.57) MAP2K4MAP2K7MEN1KMT2AAURKA
SCHEMBL3971863 0.87 MAP2K4 (0.66) MAP2K4MAP2K7
SCHEMBL3968853 0.87 MAP2K4 (0.57) MAP2K4MAP2K7PGRAURKA
SCHEMBL3966208 0.87 MAP2K4 (0.56) MAP2K4MAP2K7AURKA
SCHEMBL3966505 0.85 MAP2K4 (0.56) MAP2K4MAP2K7AURKA
SCHEMBL3967750 0.85 MAP2K4 (0.56) MAP2K4MAP2K7MEN1KMT2AAURKA
SCHEMBL3971461 0.85 MAP2K4 (0.47) MAP2K4TOP2A
SCHEMBL3968870 0.83 MAP2K4 (0.56) MAP2K4MAP2K7MEN1KMT2ATSHR
SCHEMBL3967980 0.83 MAP2K4 (0.62) MAP2K4MAP2K7HSD17B2MEN1KMT2A
SCHEMBL3968925 0.83 MAP2K4 (0.57) MAP2K4MAP2K7AURKA

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 101/4885MAP2K7 51/4885NR3C1 602/4885

“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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