SCHEMBL3034197

SCHEMBL3034197

CC(C)(C)OC(=O)n1c(-c2ccc(-c3ccc(OS(N)(=O)=O)cc3)c3c2C(=O)NC3)cc2cc(CN3CCCCC3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 20/20 0.39
NR1H3 Q13133 4/20 0.37

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
SCHEMBL3043530 0.94 NR1H2 (0.36) NR1H2NR1H3
SCHEMBL3037531 0.91 NR1H2 (0.36) NR1H2NR1H3
SCHEMBL3041900 0.91 NR1H2 (0.38) NR1H2NR1H3
SCHEMBL3043638 0.90 NR1H2 (0.40) NR1H2NR1H3
SCHEMBL3044637 0.90 NR1H2 (0.39) NR1H2NR1H3
SCHEMBL3044421 0.89 NR1H2 (0.39) NR1H2NR1H3
SCHEMBL3046959 0.89 NR1H2 (0.41) NR1H2NR1H3
SCHEMBL3034025 0.88 JAK2 (0.40) NR1H2NR1H3
SCHEMBL3037413 0.88 NR1H2 (0.36) NR1H2NR1H3
SCHEMBL3049701 0.87 NR1H2 (0.37) NR1H2NR1H3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7745641-B2 Nitrogen-containing heterocyclic compound KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-06-29 US disclosed
US-20090054407-A1 Nitrogen-containing heterocyclic compound KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-02-26 US disclosed
EP-1880993-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-01-23 EP 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-20090054407-A1 Nitrogen-containing heterocyclic compound NR4A1, NR5A2, PRMT8 NR1H2 21/4885NR1H3 25/4885

“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.