SCHEMBL4896113

SCHEMBL4896113

COc1ccc(NC(=O)CCC(=O)N2CCOCC2)c(C(=O)N2C[C@H](C)C[C@H](C)C2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
FKBP1A P62942 2/20 0.46
GAA P10253 1/20 0.46
ALDH1A1 P00352 3/20 0.45
NPSR1 Q6W5P4 1/20 0.45
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
G6PD P11413 1/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.41

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
SCHEMBL4893921 0.88 KDM4E (0.45) L3MBTL1GAAALDH1A1NPSR1RAB9A
SCHEMBL4896941 0.87 ALDH1A1 (0.47) L3MBTL1GAAALDH1A1NPSR1RAB9A
SCHEMBL21067812 0.87 ALDH1A1 (0.45) L3MBTL1GAAALDH1A1NPSR1RAB9A
SCHEMBL4894859 0.85 RAB9A (0.43) MAPK1L3MBTL1FKBP1AGAAALDH1A1
SCHEMBL14102831 0.84 FKBP1A (0.44) MAPK1L3MBTL1FKBP1AGAAALDH1A1
SCHEMBL4889525 0.83 SMN1; SMN2 (0.44) MAPK1L3MBTL1ALDH1A1NPSR1RAB9A
SCHEMBL4884288 0.80 ALDH1A1 (0.41) L3MBTL1GAAALDH1A1NPSR1RAB9A
SCHEMBL4908569 0.79 ALDH1A1 (0.47) L3MBTL1ALDH1A1NPSR1RAB9ASMN1; SMN2
SCHEMBL4908582 0.79 ALDH1A1 (0.47) L3MBTL1ALDH1A1NPSR1RAB9ASMN1; SMN2
SCHEMBL4893013 0.78 MEN1 (0.48) GAAALDH1A1RAB9AKDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 US disclosed
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 US disclosed
US-20080200512-A1 Hepatitis C virus polymerase inhibitors BLANEY JEFFREY MARK 2008-08-21 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 (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-20080200512-A1 Hepatitis C virus polymerase inhibitors SSU72, POLR2H, POLR2E MAPK1 3579/4885L3MBTL1 3221/4885FKBP1A 3425/4885

“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.