SCHEMBL4857761

SCHEMBL4857761

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
KMT2A Q03164 5/20 0.42
MEN1 O00255 1/20 0.42
ANPEP P15144 1/20 0.42
RIPK1 Q13546 1/20 0.42
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 3/20 0.39
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
EPHX2 P34913 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
ABL1 P00519 1/20 0.37
SRC P12931 1/20 0.37
NPC1 O15118 1/20 0.36

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
SCHEMBL4885861 0.86 ANPEP (0.44) TSHRKMT2AMEN1ANPEPRIPK1
SCHEMBL4885820 0.86 ANPEP (0.44) TSHRKMT2AMEN1ANPEPRIPK1
SCHEMBL4887718 0.86 ANPEP (0.44) TSHRKMT2AMEN1ANPEPRIPK1
SCHEMBL4858599 0.83 SLC1A2 (0.42) KMT2AMEN1RIPK1CYP2C19KDM4E
SCHEMBL4856893 0.83 HPGD (0.57) TSHRKMT2AMEN1ANPEPHPGD
SCHEMBL6374910 0.80 PLA2G1B (0.48) TSHRKMT2AMEN1HPGDALDH1A1
SCHEMBL4854425 0.80 PLA2G1B (0.48) TSHRKMT2AMEN1HPGDALDH1A1
SCHEMBL4855636 0.79 POLB (0.48) KMT2AMEN1CYP2C19KDM4EALDH1A1
SCHEMBL4848863 0.76 MEN1 (0.48) KMT2AMEN1CYP2C19HPGDKDM4E
SCHEMBL20564087 0.73 KMT2A (0.55) TSHRKMT2AMEN1ANPEPRIPK1

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 TSHR 2523/4885KMT2A 4504/4885MEN1 3529/4885

“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.