SCHEMBL6813755

SCHEMBL6813755

COC(=O)C(O)C(N)C(C(=O)OC(C)(C)C)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
LTA4H P09960 2/20 0.39
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
ITGA4 P13612 1/20 0.37
ITGB7 P26010 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KLK5 Q9Y337 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
RECQL P46063 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL7737367 0.90 KMT2A (0.45) KMT2ALTA4HCTSSCTSKCYP3A4
SCHEMBL7088204 0.85 KMT2A (0.49) KMT2ACTSSCTSKCYP2D6MAPK1
SCHEMBL28874131 0.80 KMT2A (0.41) KMT2ALTA4HCTSSCTSKCYP3A4
SCHEMBL11027683 0.80 KMT2A (0.41) KMT2ALTA4HCTSSCTSKCYP1A2
SCHEMBL24851748 0.79 KMT2A (0.52) KMT2ACTSSCTSKCYP1A2CYP2D6
SCHEMBL6647558 0.78 KMT2A (0.47) KMT2ALTA4HCTSSCTSKCYP1A2
SCHEMBL27598805 0.78 KMT2A (0.47) KMT2ALTA4HCTSSCTSKCYP1A2
SCHEMBL6702668 0.78 KMT2A (0.47) KMT2ALTA4HCTSSCTSKCYP1A2
SCHEMBL8023362 0.77 KMT2A (0.50) KMT2ACTSSCTSKCYP2D6MAPK1
SCHEMBL6896070 0.77 DPP4 (0.43) KMT2ACTSSCTSKCYP1A2CYP2D6

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1052257-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE THREO-3-AMINO-1,2-EPOXY COMPOUNDS NIPPON KAYAKU KK (JP) 2004-03-31 EP disclosed
US-6452026-B1 REACTING THREO-3-AMINO-1,2-DIOL COMPOUND WITH SULFONYLATING AGENT AND EPOXIDATION TO FORM 3-AMINO-1,2-EPOXY COMPOUND NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-09-17 US disclosed
US-20020058825-A1 Process for producing optically active threo-3-amino-1,2-epoxy compounds SAGAWA YUKIHIRO (JP) 2002-05-16 US disclosed
US-6376685-B1 SULFONYLATION; CYCLIZATION NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2002-04-23 US disclosed
EP-1052257-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE THREO-3-AMINO-1,2-EPOXY COMPOUNDS Nippon Kayaku Kabushiki Kaisha (JP) 2000-11-15 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-20020058825-A1 Process for producing optically active threo-3-amino-1,2-epoxy compounds DAO, DHPS, ALKBH3 KMT2A 1399/4885LTA4H 971/4885CTSS 1328/4885

“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.