SCHEMBL10060233

SCHEMBL10060233

CCc1ccc2c(c1)CNC(=O)O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.44
ELANE P08246 1/20 0.36
MAPT P10636 5/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SRD5A1 P18405 1/20 0.33
EGFR P00533 3/20 0.33
USP2 O75604 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL16118883 0.88 HTR2C (0.36) PARP1MAPTRAB9AMEN1KMT2A
SCHEMBL13369130 0.87 PARP1 (0.41) PARP1ELANEMAPTNPC1RAB9A
SCHEMBL6128344 0.84 CA12 (0.38) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL21983112 0.83 MEN1 (0.32) PARP1MAPTNPC1RAB9ALMNA
SCHEMBL2744551 0.75 EGFR (0.47) PARP1MAPTLMNAMEN1KMT2A
SCHEMBL6128272 0.75 MEN1 (0.36) MAPTALDH1A1MEN1KMT2AEGFR
SCHEMBL7752926 0.75 MAOA (0.46) PARP1MAPTNPC1RAB9AALDH1A1
SCHEMBL6125104 0.74 CA12 (0.39) MAPTNPC1RAB9AALDH1A1LMNA
SCHEMBL6838708 0.73 PARP1 (0.43) PARP1MAPTNPC1RAB9AALDH1A1
SCHEMBL7895592 0.73 PARP1 (0.43) PARP1MAPTNPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47302-E1 Peptide epoxyketone immunoproteasome inhibitors ONYX THERAPEUTICS INC. (US) 2019-03-19 US disclosed
EP-2970224-B1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS INC (US) 2017-09-06 EP disclosed
US-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. 2016-12-22 US disclosed
US-9434761-B2 Tripeptide epoxy ketone protease inhibitors ONYX THERAPEUTICS, INC. (US) 2016-09-06 US disclosed
WO-2014152134-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS ONYX THERAPEUTICS, INC. (US) 2014-09-25 WO disclosed
US-20120202782-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2012-08-09 US disclosed
US-8178526-B2 Compounds and compositions as ITPKb inhibitors IRM LLC (BM) 2012-05-15 US disclosed
US-20100184748-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IRM LLC (BM) 2010-07-22 US 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 (3 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-20120202782-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K2, IP6K3 PARP1 2073/4885ELANE 4067/4885MAPT 3557/4885
US-20160368946-A1 TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS PREP, CTRL, ENPEP PARP1 1679/4885ELANE 107/4885MAPT 537/4885
US-20100184748-A1 COMPOUNDS AND COMPOSITIONS AS ITPKB INHIBITORS IP6K1, IP6K3, IP6K2 PARP1 2302/4885ELANE 4174/4885MAPT 3892/4885

“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.