SCHEMBL852056

SCHEMBL852056

CC(C)(C)OC(=O)C(N)c1ccc(Oc2cc(Oc3ccc(C#N)cc3)cc(C(=O)O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
IL18 Q14116 1/20 0.38
SCN9A Q15858 5/20 0.37
FPR2 P25090 1/20 0.37
CYP2C9 P11712 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
FNTA P49354 1/20 0.35
FNTB P49356 1/20 0.35

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
SCHEMBL851694 0.91 RAB9A (0.44) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL851560 0.85 MRGPRX4 (0.43) MEN1KMT2ARAB9APKMFFAR1
SCHEMBL5733009 0.84 GSK3B (0.40) PARP15PARP10PARP2KDM4EMAPT
SCHEMBL8510132 0.81 ALDH1A1 (0.47) MEN1KMT2APOLBLMNASCN9A
SCHEMBL851237 0.81 RAB9A (0.44) PARP15PARP10PARP2RAB9AMAPT
SCHEMBL851029 0.81 MEN1 (0.45) PARP15PARP10PARP2MEN1KMT2A
SCHEMBL851979 0.79 PARP15 (0.62) PARP15PARP10PARP2MEN1KMT2A
SCHEMBL851662 0.78 BTK (0.39) PARP15PARP10PARP2MEN1KMT2A
SCHEMBL3013541 0.77 RARB (0.51) KMT2AMAPTFFAR1SRD5A2
SCHEMBL851472 0.76 LTA4H (0.42) MAPTFNTAFNTBEGLN2EGLN1

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 PARP15 118/4885PARP10 309/4885PARP2 768/4885
US-20120136002-A1 PROTEASE INHIBITORS SERPINB1, TMPRSS15, PRSS1 PARP15 118/4885PARP10 309/4885PARP2 768/4885

“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.