SCHEMBL4852674

SCHEMBL4852674

COC(=O)CC(NCc1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 2/20 0.47
MAPT P10636 1/20 0.47
ACP3 P15309 3/20 0.46
CHRM2 P08172 1/20 0.46
KCNA5 P22460 1/20 0.45
TACR3 P29371 1/20 0.44
CASR P41180 1/20 0.44
POLB P06746 1/20 0.44
OPRK1 P41145 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
SCHEMBL8996556 1.00 MEN1 (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8996527 1.00 MEN1 (0.51) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4856316 0.91 MEN1 (0.44) MEN1KMT2ASMN1; SMN2KCNA5TACR3
SCHEMBL4848178 0.91 PKM (0.54) MEN1KMT2ASMN1; SMN2
SCHEMBL4855940 0.91 MEN1 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4855845 0.91 PKM (0.48) MEN1KMT2ASMN1; SMN2POLB
SCHEMBL4846798 0.90 TDP1 (0.53) MEN1KMT2ACASR
SCHEMBL4852606 0.90 PLA2G1B (0.55) MEN1KMT2AALDH1A1CASR
SCHEMBL4855579 0.90 ALDH1A1 (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4850988 0.90 MEN1 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT

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 MEN1 3529/4885KMT2A 4504/4885SMN1; SMN2 4168/4885

“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.