SCHEMBL851825

SCHEMBL851825

CC(C)(C)OC(=O)NCc1ccc(Oc2cc(Oc3ccc(C#N)cc3)cc(C(=O)OC3CCC(NC(=O)OCc4ccccc4)CC3)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
RORC P51449 1/20 0.40
HDAC1 Q13547 1/20 0.39
P2RX7 Q99572 1/20 0.39
TSHR P16473 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ACHE P22303 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX1 P07099 1/20 0.37
MAPK14 Q16539 1/20 0.37
DRD2 P14416 1/20 0.37
CACNA1B Q00975 1/20 0.36
SYK P43405 1/20 0.36
PPARA Q07869 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
SCHEMBL851682 0.89 ALDH1A1 (0.49) ALDH1A1GAATSHRCTSLCTSB
SCHEMBL851987 0.88 ST14 (0.39) ALDH1A1GAAHDAC1TSHRMEN1
SCHEMBL851477 0.86 ST14 (0.37) ALDH1A1GAAHDAC1TSHRMEN1
SCHEMBL851245 0.85 RORC (0.43) ALDH1A1GAARORCHDAC1P2RX7
SCHEMBL851365 0.82 ST14 (0.50) HDAC1DRD2PPARAEPHX2PRKAA2
SCHEMBL851473 0.81 HDAC1 (0.43) RORCHDAC1P2RX7MEN1KMT2A
SCHEMBL851254 0.81 ST14 (0.52) HDAC1DRD2PPARAPRKAA2
SCHEMBL851577 0.81 ST14 (0.44) RORCDRD2FAAHEPHX2
SCHEMBL851148 0.80 ST14 (0.46) DRD2PPARAEPHX2PRKAA2
SCHEMBL851812 0.79 MAPT (0.47) HDAC1CTSLCTSBCTSKMEN1

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 ALDH1A1 1252/4885GAA 294/4885RORC 4877/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 ALDH1A1 1252/4885GAA 294/4885RORC 4877/4885

“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.