SCHEMBL431474

SCHEMBL431474

CC(=O)[C@H](NCC(=O)O)C(C)(C)SC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ KIF11 P52732 16/20 0.38
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33

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
SCHEMBL432334 1.00 CYP2C19 (0.38) CYP2C19HIF1AKIF11HDAC3HDAC4
SCHEMBL431472 0.82 CDC25A (0.39) KIF11HDAC3HDAC4HDAC1HDAC7
SCHEMBL432329 0.77 LMNA (0.42) KIF11
SCHEMBL431461 0.73 KIF11 (0.46) KIF11
SCHEMBL9728227 0.73 CTSS (0.44) —
SCHEMBL433717 0.71 CYP2C19 (0.42) CYP2C19HIF1AKIF11HDAC3HDAC4
SCHEMBL433727 0.70 MDM4 (0.48) —
SCHEMBL7762919 0.69 CTH (0.35) CYP2C19HIF1A
SCHEMBL18160139 0.69 KIF11 (0.45) CYP2C19HIF1AKIF11HDAC3HDAC4
SCHEMBL4864593 0.69 PPARA (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065367-A1 Radioactively Labeled Substance NATIONAL UNIVERSITY CORPORATION CHIBA UNIVERSITY (JP) 2012-03-15 — — 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-20120065367-A1 Radioactively Labeled Substance KIT, ABCG2, TK1 CYP2C19 2093/4885HIF1A 1529/4885KIF11 2671/4885

“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.

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