SCHEMBL2640762

SCHEMBL2640762

CC(C)C(NC(=O)OC(C)(C)C)C(=O)Nc1ccc(I)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.52
CTSK P43235 2/20 0.52
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
CA2 P00918 1/20 0.48
EGFR P00533 1/20 0.46
TRPA1 O75762 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HTT P42858 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
GLS O94925 1/20 0.41
ATM Q13315 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
SCHEMBL25069089 0.86 CTSS (0.52) CTSSCTSKMEN1KMT2ACA2
SCHEMBL26814991 0.86 CTSS (0.52) CTSSCTSKMEN1KMT2ACA2
SCHEMBL8971989 0.86 TRPA1 (0.57) CTSSCTSKMEN1KMT2ACA2
SCHEMBL1752685 0.86 MEN1 (0.52) CTSSCTSKMEN1KMT2ACA2
SCHEMBL1752670 0.86 JAK2 (0.49) MEN1KMT2AKDM4EGLS
SCHEMBL21731703 0.86 CTSS (0.58) CTSSCTSKMEN1KMT2ACA2
SCHEMBL16512500 0.86 JAK2 (0.49) MEN1KMT2AKDM4EGLS
SCHEMBL21731607 0.86 CTSS (0.58) CTSSCTSKMEN1KMT2ACA2
SCHEMBL2640804 0.85 EGFR (0.52) CTSSCTSKMEN1KMT2ACA2
SCHEMBL1752678 0.84 CTSS (0.53) CTSSCTSKMEN1KMT2ACA2

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 CTSS 3591/4885CTSK 3928/4885MEN1 2135/4885

“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.