SCHEMBL851245

SCHEMBL851245

CC(C)(C)OC(=O)NC1CCC(C(=O)Nc2cc(Oc3ccc(C#N)cc3)cc(Oc3ccc(CNC(=O)OCc4ccccc4)cc3)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.43
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 1/20 0.40
P2RX7 Q99572 1/20 0.40
DRD2 P14416 1/20 0.39
HSD17B10 Q99714 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
GLA P06280 1/20 0.37
HDAC1 Q13547 1/20 0.37
F2 P00734 1/20 0.37
PLG P00747 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
KCNA3 P22001 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
CTSL P07711 1/20 0.36

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
SCHEMBL851401 0.87 F2 (0.42) RORCALDH1A1GAATSHRNPSR1
SCHEMBL851473 0.87 HDAC1 (0.43) RORCP2RX7HDAC1
SCHEMBL851416 0.86 DRD2 (0.47) ALDH1A1DRD2F2PLGPRSS1
SCHEMBL8509807 0.86 DRD2 (0.47) ALDH1A1DRD2F2PLGPRSS1
SCHEMBL8509771 0.86 DRD2 (0.47) ALDH1A1DRD2F2PLGPRSS1
SCHEMBL852308 0.85 F2 (0.41) RORCALDH1A1GAATSHRNPSR1
SCHEMBL851825 0.85 ALDH1A1 (0.40) RORCALDH1A1GAATSHRP2RX7
SCHEMBL8510724 0.84 DRD2 (0.45) ALDH1A1DRD2F2PLGPRSS1
SCHEMBL860729 0.84 DRD2 (0.45) ALDH1A1DRD2F2PLGPRSS1
SCHEMBL8508889 0.83 F2 (0.47) ALDH1A1DRD2F2PLGPRSS1

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-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 WO 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-20140200225-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 RORC 4877/4885ALDH1A1 1252/4885GAA 294/4885

“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.