SCHEMBL851986

SCHEMBL851986

CC(C)(C)OC(=O)NCCCOc1cc(Oc2ccc(C#N)cc2)cc(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.52
CA1 P00915 5/20 0.52
CA2 P00918 5/20 0.52
CA9 Q16790 5/20 0.52
MGLL Q99685 2/20 0.46
MMP3 P08254 1/20 0.42
SUCNR1 Q9BXA5 2/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SCN9A Q15858 2/20 0.41
USP2 O75604 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDK2 Q15119 1/20 0.41
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40
PLA2G2A P14555 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
SCHEMBL852544 0.88 CA12 (0.48) CA12CA1CA2CA9MGLL
SCHEMBL25080803 0.87 CA12 (0.65) CA12CA1CA2CA9MGLL
SCHEMBL31245937 0.86 CA12 (0.56) CA12CA1CA2CA9SUCNR1
SCHEMBL852057 0.84 PPARA (0.49) MAPTSCN9AMAPK1
SCHEMBL13140981 0.83 CA12 (0.64) CA12CA1CA2CA9MGLL
SCHEMBL851692 0.83 HDAC1 (0.50)
SCHEMBL851120 0.82 PRKAA2 (0.47) CA12CA1CA2CA9
SCHEMBL15705529 0.82 CA12 (0.55) CA12CA1CA2CA9USP2
SCHEMBL16533915 0.81 CA12 (0.52) CA12CA1CA2CA9SUCNR1
SCHEMBL7488414 0.81 CA12 (0.67) CA12CA1CA2CA9SUCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140200225-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2014-07-17 US disclosed
US-8722930-B2 Protease inhibitors ORION CORPORATION (FI) 2014-05-13 US disclosed
US-20120136002-A1 PROTEASE INHIBITORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-05-31 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 (2 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 CA12 2031/4885CA1 1657/4885CA2 2649/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 CA12 2031/4885CA1 1657/4885CA2 2649/4885

“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.