SCHEMBL4906121

SCHEMBL4906121

COc1ccc2c(c1)N(C)C(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](c1ccccc1)O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.40
AR P10275 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
SCN9A Q15858 1/20 0.39
MAOB P27338 2/20 0.38
CYP19A1 P11511 1/20 0.38
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
KDM1A O60341 1/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
CYP2C19 P33261 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
SCHEMBL4906077 0.80 KMT2A (0.41) ABCB1ARABCG2MAOBCYP19A1
SCHEMBL28707307 0.77 RIPK1 (0.54) RIPK1
SCHEMBL5226142 0.77 KDM1A (0.40) SCN9AMAOBKDM1ANFKB1NFKB2
SCHEMBL13991189 0.76 NAAA (0.42)
SCHEMBL4905986 0.75 TSHR (0.44) MAOBKDM1AALDH1A1SMN1; SMN2NPC1
SCHEMBL4905957 0.75 TSHR (0.44) MAOBKDM1AALDH1A1SMN1; SMN2NPC1
SCHEMBL3344866 0.75 ACE (0.51) MAOBKDM1AALDH1A1NPC1RAB9A
SCHEMBL4902997 0.75 ACE (0.51) MAOBKDM1AALDH1A1NPC1RAB9A
Hydrochloric Acid SCHEMBL4901623 0.74 ABCB1 (0.45) ABCB1ARABCG2MAOBCYP19A1
SCHEMBL1561640 0.74 MME (0.43) SCN9ARIPK1

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-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 US disclosed
US-20080311609-A1 Novel Molecular Probes ASTRAZENECA AB (SE) 2008-12-18 US disclosed
EP-1831187-A1 NOVEL MOLECULAR PROBES AstraZeneca AB (SE) 2007-09-12 EP disclosed
WO-2006065218-A1 NOVEL MOLECULAR PROBES ASTRAZENECA AB (SE) 2006-06-22 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-20080311609-A1 Novel Molecular Probes BACE1, BACE2, PSEN1 ABCB1 1513/4885AR 4362/4885ABCG2 3521/4885

“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.