SCHEMBL2640935

SCHEMBL2640935

CC(C)C(NC(=O)OC(C)(C)C)C(=O)Nc1cccc(-c2ccccc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC3 O15379 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
CTSS P25774 4/20 0.52
CTSK P43235 3/20 0.52
CTSB P07858 1/20 0.52
EGFR P00533 1/20 0.52
SIRT5 Q9NXA8 1/20 0.48
CYP17A1 P05093 1/20 0.47
POLB P06746 1/20 0.47
MGLL Q99685 2/20 0.47
ADAMTS4 O75173 1/20 0.47

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
SCHEMBL1752678 0.89 CTSS (0.53) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL21731703 0.89 CTSS (0.58) HDAC4HDAC1HDAC8CTSSCTSK
SCHEMBL21731607 0.89 CTSS (0.58) HDAC4HDAC1HDAC8CTSSCTSK
SCHEMBL1752666 0.88 HDAC4 (0.65) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL6101476 0.86 POLB (0.56) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL29781738 0.84 HPGD (0.53) HDAC4HDAC1CTSSCTSKEGFR
SCHEMBL20971614 0.84 HPGD (0.53) HDAC4HDAC1CTSSCTSKEGFR
SCHEMBL2640804 0.84 EGFR (0.52) HDAC4HDAC1HDAC3HDAC7HDAC2
SCHEMBL2640662 0.84 MEN1 (0.61) HDAC4HDAC1CTSSCTSKCTSB
SCHEMBL19236692 0.84 HPGD (0.53) HDAC4HDAC1CTSSCTSKEGFR

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 HDAC4 3713/4885HDAC1 3368/4885HDAC3 3194/4885

“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.