SCHEMBL3206044

SCHEMBL3206044

COc1ccc(C(=O)O)c(OCCC2CCCCN2C(=O)OC(C)(C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.50
HCRTR1 O43613 5/20 0.48
HCRTR2 O43614 4/20 0.48
F2RL3 Q96RI0 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ATM Q13315 2/20 0.40
PRMT5 O14744 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
STS P08842 1/20 0.39

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
SCHEMBL3205504 0.91 CHEK2 (0.49) CHEK2HCRTR1HCRTR2F2RL3KDM4E
SCHEMBL7399721 0.82 CHEK2 (0.61) CHEK2HCRTR1HCRTR2NPC1RAB9A
SCHEMBL31648332 0.82 CHEK2 (0.53) CHEK2HCRTR1HCRTR2HDAC8ATM
SCHEMBL6609250 0.80 CHEK2 (0.56) CHEK2HCRTR1HCRTR2KDM4ENPC1
SCHEMBL8703528 0.79 TP53 (0.56) HCRTR1HCRTR2
SCHEMBL6615093 0.79 HCRTR1 (0.58) CHEK2HCRTR1HCRTR2
SCHEMBL30428901 0.78 PRMT5 (0.50) CHEK2HCRTR1HCRTR2PRMT5
SCHEMBL6608981 0.78 HCRTR1 (0.69) CHEK2HCRTR1HCRTR2KDM4E
SCHEMBL5150212 0.78 ALOX5AP (0.50) CHEK2F2RL3
SCHEMBL5150218 0.78 ALOX5AP (0.50) CHEK2F2RL3

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-7666866-B2 Antithrombotic diamides ELI LILLY AND COMPANY (US) 2010-02-23 US disclosed
EP-1819693-B1 ANTITHROMBOTIC DIAMIDES LILLY CO ELI (US) 2009-08-26 EP disclosed
US-20090062271-A1 Antithrombotic Diamides ELI LILLY AND COMPANY (US) 2009-03-05 US disclosed
EP-1819693-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2007-08-22 EP disclosed
WO-2006057868-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2006-06-01 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 (1 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-20090062271-A1 Antithrombotic Diamides TFPI, SERPINC1, TFPI2 CHEK2 4253/4885HCRTR1 4782/4885HCRTR2 4860/4885

“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.