SCHEMBL851472

SCHEMBL851472

CC(C)(C)OC(=O)Nc1cc(Oc2ccc(C#N)cc2)cc(Oc2ccc(C(N)C(=O)OCc3ccccc3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40
P2RX7 Q99572 1/20 0.40
EGLN2 Q96KS0 4/20 0.40
PTPN1 P18031 1/20 0.40
RORC P51449 1/20 0.39
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
CTSS P25774 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
SYK P43405 1/20 0.38
EGLN1 Q9GZT9 2/20 0.37
CTSK P43235 1/20 0.37
BCL2 P10415 1/20 0.37
S1PR2 O95136 1/20 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
SCHEMBL851473 0.84 HDAC1 (0.43) P2RX7EGLN2PTPN1RORCTOP2A
SCHEMBL851029 0.82 MEN1 (0.45) LTA4HFNTAFNTBEGLN2EGLN1
SCHEMBL3182559 0.81 LTA4H (0.51) LTA4HTOP2ATOP2BTP53MAPT
SCHEMBL851829 0.78 EGLN2 (0.50) FNTAFNTBEGLN2MAPTS1PR2
SCHEMBL851694 0.77 RAB9A (0.44) LTA4H
SCHEMBL852056 0.76 PARP15 (0.44) FNTAFNTBEGLN2MAPTEGLN1
SCHEMBL851778 0.75 EGLN2 (0.52) EGLN2PTPN1
SCHEMBL851560 0.73 MRGPRX4 (0.43) LTA4HTP53
SCHEMBL851237 0.73 RAB9A (0.44) LTA4HMAPT
SCHEMBL3940115 0.73 LTA4H (0.53) LTA4HTP53MAPTSYK

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 LTA4H 370/4885FNTA 2355/4885FNTB 1427/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 LTA4H 370/4885FNTA 2355/4885FNTB 1427/4885

“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.