SCHEMBL4858599

SCHEMBL4858599

COC(=O)CC(NCc1ccccc1F)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.42
ALDH1A1 P00352 2/20 0.42
SCN9A Q15858 1/20 0.42
RIPK1 Q13546 1/20 0.42
TRPV3 Q8NET8 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
PKM P14618 1/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.40
KDM4E B2RXH2 2/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL4879906 0.86 SLC1A2 (0.44) SLC1A2ALDH1A1SCN9ARIPK1TRPV3
SCHEMBL4885550 0.86 SLC1A2 (0.44) SLC1A2ALDH1A1SCN9ARIPK1TRPV3
SCHEMBL4879894 0.86 SLC1A2 (0.44) SLC1A2ALDH1A1SCN9ARIPK1TRPV3
SCHEMBL4857761 0.83 TSHR (0.47) ALDH1A1RIPK1CYP2C19KMT2AMEN1
SCHEMBL4856893 0.83 HPGD (0.57) ALDH1A1KMT2AMEN1RAB9A
SCHEMBL6374910 0.80 PLA2G1B (0.48) ALDH1A1KMT2AMEN1
SCHEMBL4854425 0.80 PLA2G1B (0.48) ALDH1A1KMT2AMEN1
SCHEMBL4855636 0.79 POLB (0.48) ALDH1A1CYP2C19KMT2AMEN1MAPK1
SCHEMBL6241008 0.73 SCN9A (0.50) SLC1A2ALDH1A1SCN9ARIPK1KMT2A
SCHEMBL19910422 0.73 KMT2A (0.52) ALDH1A1RIPK1KMT2AMEN1PKM

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 SLC1A2 1317/4885ALDH1A1 1354/4885SCN9A 1561/4885

“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.