SCHEMBL4879406

SCHEMBL4879406

CC(C)C(CC(=O)O)NCc1cccc(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.46
SLC2A1 P11166 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
APEX1 P27695 1/20 0.43
MEP1B Q16820 4/20 0.43
NPC1 O15118 1/20 0.43
HDAC1 Q13547 1/20 0.43
PNMT P11086 1/20 0.43
LMNA P02545 1/20 0.43
FFAR1 O14842 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
SCHEMBL4891311 1.00 MASP2 (0.46) MASP2SLC2A1RXFP1APEX1MEP1B
SCHEMBL4879395 1.00 MASP2 (0.46) MASP2SLC2A1RXFP1APEX1MEP1B
SCHEMBL4846804 0.84 ADAMTS4 (0.49)
SCHEMBL4846816 0.84 ADAMTS4 (0.49)
SCHEMBL4850395 0.84 ADAMTS4 (0.49)
SCHEMBL4878693 0.83 FFAR1 (0.47) MEP1BNPC1FFAR1
SCHEMBL4885581 0.83 FFAR1 (0.47) MEP1BNPC1FFAR1
SCHEMBL4878708 0.83 FFAR1 (0.47) MEP1BNPC1FFAR1
SCHEMBL4857156 0.83 MMEL1 (0.42) MASP2SLC2A1RXFP1LMNA
SCHEMBL10660549 0.83 ADAMTS4 (0.45) MEP1B

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 MASP2 2308/4885SLC2A1 4079/4885RXFP1 1299/4885

“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.