SCHEMBL342719

SCHEMBL342719

CC(C)(C)OC(=O)N1CC(OS(C)(=O)=O)CC(C)(C(=O)O)C1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RORC P51449 9/20 0.37
NR1H2 P55055 1/20 0.35
EPHX2 P34913 1/20 0.34
GPR119 Q8TDV5 4/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL342718 1.00 RORC (0.37) RORCNR1H2EPHX2GPR119USP2
SCHEMBL28708135 0.81 RORC (0.41) RORCNR1H2EPHX2USP2SMN1; SMN2
SCHEMBL321486 0.79 NR1H2 (0.47) NR1H2GPR119USP2SMN1; SMN2
SCHEMBL2217516 0.78 RORC (0.40) RORCNR1H2EPHX2USP2SMN1; SMN2
SCHEMBL18210065 0.78 RORC (0.40) RORCNR1H2EPHX2USP2SMN1; SMN2
SCHEMBL1268620 0.77 NR1H2 (0.33) NR1H2EPHX2GPR119
SCHEMBL16233283 0.77 JAK1 (0.43) RORCNR1H2EPHX2GPR119USP2
SCHEMBL16199575 0.77 JAK1 (0.43) RORCNR1H2EPHX2GPR119USP2
SCHEMBL14661920 0.76 EPHX2 (0.38) NR1H2EPHX2GPR119USP2SMN1; SMN2
SCHEMBL24070869 0.75 CHRM2 (0.35) NR1H2EPHX2GPR119USP2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367690-B2 Aminopyridine derivatives having aurora a selective inhibitory action VERTEX PHARMACEUTICALS INC. (US) 2013-02-05 US disclosed
US-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION BANYU PHARMACEUTICALS CO., LTD. (JP) 2012-01-19 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-20120015969-A1 NOVEL AMINOPYRIDINE DERIVATIVES HAVING AURORA A SELECTIVE INHIBITORY ACTION AURKA, AURKC, AURKB RORC 3867/4885NR1H2 3181/4885EPHX2 3070/4885

“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.