SCHEMBL4738012

SCHEMBL4738012

CCOC(=O)c1cc(Cl)c(N2CCC(C(=O)OC(C)(C)C)CC2)nc1SCCNC(C)=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.39
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
OPRK1 P41145 5/20 0.36
P2RY12 Q9H244 5/20 0.36
RAB9A P51151 1/20 0.35
TSHR P16473 2/20 0.35
LGMN Q99538 1/20 0.34
ALOX12 P18054 1/20 0.34
HSD17B10 Q99714 1/20 0.34
OPRM1 P35372 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL4739435 0.89 HSD11B1 (0.42) MAPTKDM4EOPRK1P2RY12HSD17B10
SCHEMBL3326910 0.85 MAPT (0.44) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL3327301 0.82 MAPT (0.49) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4883732 0.80 P2RY12 (0.53) P2RY12
SCHEMBL4887321 0.80 P2RY12 (0.58) P2RY12
SCHEMBL4892954 0.75 MAPT (0.39) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4786405 0.74 P2RY12 (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL3328130 0.73 MEN1 (0.44) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4170972 0.73 MAPT (0.48) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL3328623 0.70 MAPT (0.47) MAPTALDH1A1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate ASTRAZENECA AB (SE) 2008-08-21 US disclosed
WO-2008085119-A1 NEW PYRIDINE ANALOGUES VIII 518 ASTRAZENECA AB (SE) 2008-07-17 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-20080200448-A1 reversible and selective purinergic receptor P2Y12 antagonists; anticoagulants; cardiovascular disorders; e.g. ethyl 2-acetoxy-6-{4-[(benzylsulfonyl)carbamoyl]piperidin-1-yl}-5-cyanonicotinate P2RY12, P2RY13, P2RY11 MAPT 4725/4885ALDH1A1 2394/4885MEN1 3965/4885

“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.