SCHEMBL4854580

SCHEMBL4854580

O=C(O)CC(NCc1ccccc1)c1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.51
KMT2A Q03164 2/20 0.50
ITGB3 P05106 5/20 0.49
ITGAV P06756 2/20 0.49
HPGD P15428 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
ITGA2B P08514 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
MAPK9 P45984 1/20 0.46
ADRB3 P13945 1/20 0.46

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
SCHEMBL4855345 1.00 GSK3B (0.51) GSK3BKMT2AITGB3ITGAVHPGD
SCHEMBL4846856 0.88 RAB9A (0.55) GSK3BKMT2AHPGDRAB9AMEN1
SCHEMBL4850864 0.85 KMT2A (0.46) GSK3BKMT2AITGB3HPGDRAB9A
SCHEMBL4855596 0.84 RAB9A (0.52) KMT2AITGB3ITGAVHPGDRAB9A
SCHEMBL15239120 0.83 KMT2A (0.56) KMT2AITGB3ITGAVRAB9AITGA2B
SCHEMBL5151908 0.83 ITGB3 (0.57) KMT2AITGB3ITGAVHPGDRAB9A
SCHEMBL15239028 0.80 KMT2A (0.59) KMT2AITGB3ITGAVHPGDRAB9A
SCHEMBL15238897 0.80 KMT2A (0.59) KMT2AITGB3ITGAVHPGDRAB9A
SCHEMBL20976479 0.80 KMT2A (0.59) KMT2AITGB3ITGAVHPGDRAB9A
SCHEMBL3141349 0.80 ITGB3 (0.58) KMT2AITGB3ITGAVRAB9AMEN1

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 GSK3B 2129/4885KMT2A 4504/4885ITGB3 2831/4885

“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.