SCHEMBL1752685

SCHEMBL1752685

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
POLB P06746 1/20 0.52
CTSS P25774 2/20 0.52
CTSK P43235 2/20 0.52
FPR2 P25090 3/20 0.51
MAPK1 P28482 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
EGFR P00533 2/20 0.48
CA2 P00918 1/20 0.48
AAK1 Q2M2I8 1/20 0.46
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.45
XBP1 P17861 1/20 0.45
TRPA1 O75762 1/20 0.45

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
SCHEMBL2640762 0.86 CTSS (0.52) MEN1KMT2ASMN1; SMN2CTSSCTSK
SCHEMBL26814991 0.86 CTSS (0.52) MEN1KMT2ALMNASMN1; SMN2CTSS
SCHEMBL25069089 0.86 CTSS (0.52) MEN1KMT2ALMNASMN1; SMN2CTSS
SCHEMBL8971989 0.86 TRPA1 (0.57) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL21731607 0.86 CTSS (0.58) MEN1KMT2ALMNASMN1; SMN2CTSS
SCHEMBL21731703 0.86 CTSS (0.58) MEN1KMT2ALMNASMN1; SMN2CTSS
SCHEMBL1752662 0.86 MEN1 (0.51) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL30135221 0.85 MEN1 (0.50) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL2640662 0.85 MEN1 (0.61) MEN1KMT2ALMNASMN1; SMN2POLB
SCHEMBL1752678 0.84 CTSS (0.53) MEN1KMT2ASMN1; SMN2CTSSCTSK

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 MEN1 2135/4885KMT2A 4634/4885LMNA 715/4885

“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.