SCHEMBL4885801

SCHEMBL4885801

CC(C)C(CC(=O)O)NCc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.41
TGM2 P21980 1/20 0.41
POLB P06746 1/20 0.40
EPHX1 P07099 2/20 0.40
ITGB1 P05556 2/20 0.40
ITGA5 P08648 2/20 0.40
ADAMTS4 O75173 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGAV P06756 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL4885792 1.00 CTSK (0.48) CTSKL3MBTL1KMT2AMEN1TGM2
SCHEMBL4889212 1.00 CTSK (0.48) CTSKL3MBTL1KMT2AMEN1TGM2
SCHEMBL4846804 0.85 ADAMTS4 (0.49) L3MBTL1KMT2AMEN1POLBADAMTS4
SCHEMBL4846816 0.85 ADAMTS4 (0.49) L3MBTL1KMT2AMEN1POLBADAMTS4
SCHEMBL4850395 0.85 ADAMTS4 (0.49) L3MBTL1KMT2AMEN1POLBADAMTS4
SCHEMBL4882086 0.84 DPP7 (0.52) KMT2AMEN1RAB9ADPP7
SCHEMBL4888614 0.84 DPP7 (0.52) KMT2AMEN1RAB9ADPP7
SCHEMBL4882099 0.84 DPP7 (0.52) KMT2AMEN1RAB9ADPP7
SCHEMBL4885581 0.82 FFAR1 (0.47) KMT2AMEN1NPC1
SCHEMBL4878693 0.82 FFAR1 (0.47) KMT2AMEN1NPC1

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 CTSK 2377/4885L3MBTL1 4360/4885KMT2A 4504/4885

“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.