SCHEMBL335913

SCHEMBL335913

CC(C)(C)OC(=O)NC(c1ccccc1)[C@@H](O)C(=O)Nc1ccc2nc(N)n(C(=O)O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 3/20 0.45
HDAC4 P56524 4/20 0.37
HDAC1 Q13547 4/20 0.37
HDAC8 Q9BY41 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
BACE1 P56817 3/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
GABRB1 P18505 1/20 0.35
GABRB2 P47870 1/20 0.35
BRD4 O60885 2/20 0.35
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 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
SCHEMBL335912 1.00 ACSS2 (0.45) ACSS2HDAC4HDAC1HDAC8HDAC3
SCHEMBL8217383 0.94 ACSS2 (0.44) ACSS2HDAC4HDAC1HDAC8HDAC3
SCHEMBL8213937 0.75 RAB9A (0.40) ACSS2BRD4KDM4ENPC1ALDH1A1
SCHEMBL10267358 0.73 CYP17A1 (0.50) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL8218644 0.71 BACE1 (0.39) HDAC4HDAC1HDAC8HDAC3HDAC7
SCHEMBL6166 0.69 CTSK (0.51) CTSSCTSKGABRB1GABRB2
SCHEMBL7087412 0.69 CTSK (0.51) CTSSCTSKGABRB1GABRB2
SCHEMBL12070284 0.69 CTSK (0.51) CTSSCTSKGABRB1GABRB2
SCHEMBL767076 0.69 CTSK (0.51) CTSSCTSKGABRB1GABRB2
SCHEMBL335777 0.69 CTSK (0.51) CTSSCTSKGABRB1GABRB2

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-8097758-B2 Isoserine derivatives for use as coagulation factor IXa inhibitors SANOFI-AVENTIS (FR) 2012-01-17 US disclosed
US-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS SANOFI-AVENTIS (FR) 2009-09-17 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-20090233949-A1 ISOSERINE DERIVATIVES FOR USE AS COAGULATION FACTOR IXA INHIBITORS TFPI, F2, F9 ACSS2 1531/4885HDAC4 3129/4885HDAC1 1953/4885

“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.