SCHEMBL2260385

SCHEMBL2260385

CCOC(=O)[C@H](C)N(CCCBr)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
CA14 Q9ULX7 1/20 0.31
TRPA1 O75762 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL2260383 1.00 NFKB1 (0.36) NFKB1NFKB2RELAHDAC1HDAC2
SCHEMBL21818968 0.87 CYP1A2 (0.39) NFKB1NFKB2RELAHDAC1HDAC2
SCHEMBL21818967 0.87 CYP1A2 (0.39) NFKB1NFKB2RELAHDAC1HDAC2
SCHEMBL2258075 0.86 NFKB1 (0.36) NFKB1NFKB2RELAHDAC1HDAC2
SCHEMBL2259282 0.86 NFKB1 (0.36) NFKB1NFKB2RELAHDAC1HDAC2
SCHEMBL2259288 0.86 NFKB1 (0.36) NFKB1NFKB2RELAHDAC1HDAC2
SCHEMBL21818876 0.84 EPHX2 (0.36) NFKB1NFKB2RELAHDAC1HDAC2
SCHEMBL21818877 0.84 EPHX2 (0.36) NFKB1NFKB2RELAHDAC1HDAC2
SCHEMBL24208061 0.84 NFKB1 (0.36) NFKB1NFKB2RELAHDAC1HDAC2
SCHEMBL8328107 0.83 HDAC6 (0.36) HDAC1HDAC2HDAC6CA14

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
US-8242303-B2 Method of producing optically active N-(halopropyl) amino acid derivative NAGASE & CO., LTD. (JP) 2012-08-14 US claimed
EP-2192110-B1 METHOD OF PRODUCING OPTICALLY ACTIVE N-(HALOPROPYL)AMINO ACID DERIVATIVE NAGASE & CO LTD (JP) 2016-05-04 EP disclosed
US-8242303-B2 Method of producing optically active N-(halopropyl) amino acid derivative NAGASE & CO., LTD. (JP) 2012-08-14 US disclosed
US-20110190527-A1 METHOD OF PRODUCING OPTICALLY ACTIVE N-(HALOPROPYL) AMINO ACID DERIVATIVE NAGASE & CO., LTD. (JP) 2011-08-04 US 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-20110190527-A1 METHOD OF PRODUCING OPTICALLY ACTIVE N-(HALOPROPYL) AMINO ACID DERIVATIVE NPPA, NPEPPS, ALAD NFKB1 1852/4885NFKB2 2056/4885RELA 994/4885

“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.