SCHEMBL3968655

SCHEMBL3968655

O=S(=O)(Nc1ccc2c(-c3ccccc3Cl)n[nH]c2c1)c1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 14/20 0.52
▸ SGK1 O00141 3/20 0.49
▸ CYP2C9 P11712 2/20 0.46
▸ SLC22A6 Q4U2R8 2/20 0.46
▸ SLC22A8 Q8TCC7 2/20 0.46
▸ SLC22A11 Q9NSA0 2/20 0.46
▸ MAP2K4 P45985 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ CLK1 P49759 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ BRD4 O60885 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
SCHEMBL3971461 0.91 MAP2K4 (0.47) SLC22A12SGK1CYP2C9SLC22A6SLC22A8
SCHEMBL3962444 0.88 SGK1 (0.61) SLC22A12SGK1MAP2K4BRD4
SCHEMBL3964181 0.87 SGK1 (0.57) SGK1MAP2K4
SCHEMBL3972626 0.86 MAP2K4 (0.52) SGK1MAP2K4BRD4
SCHEMBL3964170 0.85 SLC22A12 (0.54) SLC22A12SGK1MAP2K4MAPTNPSR1
SCHEMBL3964176 0.85 SGK1 (0.52) SLC22A12SGK1MAP2K4MAPTBRD4
SCHEMBL3966924 0.84 MAP2K4 (0.57) SGK1MAP2K4MAPT
SCHEMBL3970942 0.84 MAP2K4 (0.56) SGK1MAP2K4
SCHEMBL3966336 0.84 SGK1 (0.51) SGK1MAP2K4BRD4
SCHEMBL3968444 0.84 MAP2K4 (0.49) SGK1MAP2K4

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 SLC22A12 3212/4885SGK1 457/4885CYP2C9 4015/4885

“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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