SCHEMBL2640804

SCHEMBL2640804

CC(C)C(NC(=O)OC(C)(C)C)C(=O)Nc1cccc(I)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.52
POLB P06746 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
CA2 P00918 2/20 0.45
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
SIRT5 Q9NXA8 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL1752682 0.88 HDAC4 (0.47) EGFRHDAC4HDAC1CA2SIRT5
SCHEMBL19236692 0.85 HPGD (0.53) EGFRPOLBCTSSCTSKHDAC4
SCHEMBL20971614 0.85 HPGD (0.53) EGFRPOLBCTSSCTSKHDAC4
SCHEMBL2640662 0.85 MEN1 (0.61) EGFRPOLBCTSSCTSKHDAC4
SCHEMBL29781738 0.85 HPGD (0.53) EGFRPOLBCTSSCTSKHDAC4
SCHEMBL2640762 0.85 CTSS (0.52) EGFRCTSSCTSKCA2MEN1
SCHEMBL21731607 0.84 CTSS (0.58) EGFRCTSSCTSKHDAC4HDAC1
SCHEMBL21731703 0.84 CTSS (0.58) EGFRCTSSCTSKHDAC4HDAC1
SCHEMBL2640935 0.84 HDAC4 (0.62) EGFRPOLBCTSSCTSKHDAC4
SCHEMBL6101476 0.84 POLB (0.56) EGFRPOLBCTSSCTSKHDAC4

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-7968748-B2 Process for resolving racemic mixtures and a diastereoisomeric complex of a resolving agent and an enantiomer of interest ABIOGEN PHARMA S.P.A. (IT) 2011-06-28 US disclosed
US-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST ABIOGEN PHARMA S.P.A. (IT) 2009-11-26 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-20090292129-A1 PROCESS FOR RESOLVING RACEMIC MIXTURES AND A DIASTEREOISOMERIC COMPLEX OF A RESOLVING AGENT AND AN ENANTIOMER OF INTEREST SRR, EPHX2, ALOX5 EGFR 4791/4885POLB 1541/4885CTSS 3591/4885

“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.