SCHEMBL4887722

SCHEMBL4887722

CC(C)[C@H](CC(=O)O)NCc1ccccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GFER P55789 1/20 0.46
ATM Q13315 1/20 0.44
KDM4E B2RXH2 1/20 0.44
FFAR1 O14842 1/20 0.44
CASR P41180 1/20 0.44
ADAMTS4 O75173 1/20 0.44
HTT P42858 1/20 0.43

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
SCHEMBL4885432 1.00 LMNA (0.52) LMNANPC1RAB9AALDH1A1KMT2A
SCHEMBL4885427 1.00 LMNA (0.52) LMNANPC1RAB9AALDH1A1KMT2A
SCHEMBL4885550 0.82 SLC1A2 (0.44) LMNAALDH1A1KMT2AMEN1KDM4E
SCHEMBL4885820 0.82 ANPEP (0.44) LMNANPC1RAB9AALDH1A1KMT2A
SCHEMBL4885861 0.82 ANPEP (0.44) LMNANPC1RAB9AALDH1A1KMT2A
SCHEMBL4879894 0.82 SLC1A2 (0.44) LMNAALDH1A1KMT2AMEN1KDM4E
SCHEMBL4887718 0.82 ANPEP (0.44) LMNANPC1RAB9AALDH1A1KMT2A
SCHEMBL4879906 0.82 SLC1A2 (0.44) LMNAALDH1A1KMT2AMEN1KDM4E
SCHEMBL4885858 0.80 HPGD (0.57) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL4884392 0.80 HPGD (0.57) NPC1RAB9AALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1493819-B1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER UBE INDUSTRIES (JP) 2014-11-12 EP disclosed
US-7449325-B2 Process for enzymatically producing either optically active N-substituted β-amino acids or esters thereof or optically active N-substituted 2-homopipecolic acids or esters thereof UBE INDUSTRIES, LTD. (JP) 2008-11-11 US disclosed
US-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester UBE INDUSTRIES, LTD. (JP) 2005-08-04 US disclosed
EP-1493819-A1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER Ube Industries, Ltd. (JP) 2005-01-05 EP 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-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester CYP8B1, SRR, HM13 LMNA 1936/4885NPC1 1932/4885RAB9A 1336/4885

“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.