SCHEMBL4885861

SCHEMBL4885861

CC(C)C(CC(=O)O)NCc1ccccc1Br

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.44
ADAMTS4 O75173 1/20 0.44
RIPK1 Q13546 1/20 0.43
KMT2A Q03164 3/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 3/20 0.39
FAAH O00519 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
P2RX7 Q99572 3/20 0.37

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
SCHEMBL4885820 1.00 ANPEP (0.44) ANPEPADAMTS4RIPK1KMT2AHPGD
SCHEMBL4887718 1.00 ANPEP (0.44) ANPEPADAMTS4RIPK1KMT2AHPGD
SCHEMBL4857761 0.86 TSHR (0.47) ANPEPRIPK1KMT2AHPGDMEN1
SCHEMBL4887722 0.82 LMNA (0.52) ADAMTS4KMT2AMEN1ALDH1A1LMNA
SCHEMBL4879894 0.82 SLC1A2 (0.44) ADAMTS4RIPK1KMT2AMEN1ALDH1A1
SCHEMBL4885550 0.82 SLC1A2 (0.44) ADAMTS4RIPK1KMT2AMEN1ALDH1A1
SCHEMBL4885427 0.82 LMNA (0.52) ADAMTS4KMT2AMEN1ALDH1A1LMNA
SCHEMBL4879906 0.82 SLC1A2 (0.44) ADAMTS4RIPK1KMT2AMEN1ALDH1A1
SCHEMBL4885432 0.82 LMNA (0.52) ADAMTS4KMT2AMEN1ALDH1A1LMNA
SCHEMBL4884410 0.80 HPGD (0.57) KMT2AHPGDMEN1ALDH1A1TSHR

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 ANPEP 33/4885ADAMTS4 2783/4885RIPK1 4363/4885

“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.