SCHEMBL4643594

SCHEMBL4643594

CNC(=O)c1ccc(-c2cc3c(c(C(=O)O)c2)OCC=C3)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.39
AKR1C2 P52895 7/20 0.36
AKR1C1 Q04828 7/20 0.36
MET P08581 1/20 0.33
ACLY P53396 2/20 0.33
XDH P47989 1/20 0.33
PIK3CA P42336 1/20 0.32
MTOR P42345 1/20 0.32
BRD4 O60885 2/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
PPARG P37231 1/20 0.32
PPARA Q07869 1/20 0.32
ERCC5 P28715 1/20 0.32
FEN1 P39748 1/20 0.32
FTO Q9C0B1 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL14098897 0.91 PDK2 (0.39) PDK2METPIK3CAMTORBRD4
SCHEMBL3936279 0.80 PDK2 (0.40) PDK2AKR1C2AKR1C1METACLY
SCHEMBL4640340 0.79 PLK1 (0.43) PDK2AKR1C2AKR1C1HDAC8SMN1; SMN2
SCHEMBL4640368 0.76 NOTUM (0.39) PDK2AKR1C2AKR1C1XDHBRD4
SCHEMBL4642110 0.75 KDM4E (0.40) PDK2AKR1C2AKR1C1METACLY
SCHEMBL14091733 0.74 ITGB2 (0.44) HDAC8HDAC6SMN1; SMN2
SCHEMBL4735619 0.72 PDK2 (0.39) PDK2AKR1C2AKR1C1METBRD4
SCHEMBL4640370 0.70 KDM4E (0.42) SMN1; SMN2
SCHEMBL3936605 0.68 KMO (0.46) PDK2AKR1C2AKR1C1HDAC8
SCHEMBL4738875 0.67 NPC1 (0.39) AKR1C2AKR1C1ACLYSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US claimed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP claimed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 WO claimed
US-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 PDK2 3312/4885AKR1C2 610/4885AKR1C1 609/4885

“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.