SCHEMBL3971461

SCHEMBL3971461

O=S(=O)(Nc1ccc2c(-c3ccccc3Cl)n[nH]c2c1)c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K4 P45985 4/20 0.47
▸ SGK1 O00141 5/20 0.45
▸ CDK1 P06493 1/20 0.43
▸ CCNB1 P14635 1/20 0.43
▸ CCNA2 P20248 1/20 0.43
▸ CCND1 P24385 1/20 0.43
▸ CDK2 P24941 1/20 0.43
▸ CDK7 P50613 1/20 0.43
▸ CCNH P51946 1/20 0.43
▸ CCNA1 P78396 1/20 0.43
▸ CDK6 Q00534 1/20 0.43
▸ MCL1 Q07820 1/20 0.43
▸ CNR2 P34972 1/20 0.42
▸ SLC22A12 Q96S37 4/20 0.42
▸ TOP2A P11388 1/20 0.40
▸ TRPA1 O75762 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ SLC22A6 Q4U2R8 1/20 0.40
▸ SLC22A8 Q8TCC7 1/20 0.40

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
SCHEMBL3968655 0.91 SLC22A12 (0.52) MAP2K4SGK1SLC22A12CYP3A4CYP2C9
SCHEMBL3966924 0.87 MAP2K4 (0.57) MAP2K4SGK1
SCHEMBL3968943 0.85 MAP2K4 (0.58) MAP2K4TOP2A
SCHEMBL3962444 0.83 SGK1 (0.61) MAP2K4SGK1SLC22A12MAPK8MAPK10
SCHEMBL3970942 0.82 MAP2K4 (0.56) MAP2K4SGK1
SCHEMBL3964181 0.81 SGK1 (0.57) MAP2K4SGK1MAPK8MAPK10MAPK14
SCHEMBL3967746 0.81 MAP2K4 (0.55) MAP2K4SGK1
SCHEMBL3968444 0.81 MAP2K4 (0.49) MAP2K4SGK1MAPK8MAPK10MAPK14
SCHEMBL3972626 0.81 MAP2K4 (0.52) MAP2K4SGK1
SCHEMBL3964170 0.80 SLC22A12 (0.54) MAP2K4SGK1SLC22A12SLC40A1

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 101/4885SGK1 457/4885CDK1 50/4885

“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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