SCHEMBL17439189

SCHEMBL17439189

CCCC(=O)C(NC(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CTSK P43235 10/20 0.40
CTSS P25774 3/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
CYP2D6 P10635 1/20 0.37

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
SCHEMBL561366 0.87 CYP1A2 (0.55) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL20744977 0.86 ALDH1A1 (0.40) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL14974655 0.84 CTSK (0.44) CA1CA2CA7CTSKCTSS
SCHEMBL28985217 0.83 CYP1A2 (0.52) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL9334932 0.82 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL26489244 0.82 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL1731214 0.82 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL21603014 0.79 CYP1A2 (0.49) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL20295254 0.77 CYP1A2 (0.47) CYP1A2CYP2C9CYP2C19HTTSMN1; SMN2
SCHEMBL14923714 0.77 CA1 (0.49) CA1CA2CA7CTSKCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9862978-B2 Method for preparing (2RS)-amino-(3S)-hydroxy-butyric acid and its derivatives AMINOLOGICS CO. LTD. (KR) 2018-01-09 US disclosed
US-20160017389-A1 METHOD FOR PREPARING (2RS)-AMINO-(3S)-HYDROXY-BUTYRIC ACID AND ITS DERIVATIVES AMINOLOGICS CO., LTD. (KR) 2016-01-21 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-20160017389-A1 METHOD FOR PREPARING (2RS)-AMINO-(3S)-HYDROXY-BUTYRIC ACID AND ITS DERIVATIVES ALAD, CYP51A1, ALDH7A1 CYP1A2 237/4885CYP2C9 218/4885CYP2C19 288/4885

“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.