SCHEMBL16870950

SCHEMBL16870950

COC(=O)[C@@H](O)[C@@H](N[C@@H](C)c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
ACP3 P15309 4/20 0.44
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.41
APAF1 O14727 1/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 1/20 0.40
ASPH Q12797 1/20 0.40
KDM8 Q8N371 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL16871126 1.00 KMT2A (0.51) KMT2AACP3PTGS1PTGS2ALDH1A1
SCHEMBL8430344 0.85 APAF1 (0.49) KMT2AACP3ALDH1A1HPGDHSD17B10
SCHEMBL8829781 0.85 APAF1 (0.49) KMT2AACP3ALDH1A1HPGDHSD17B10
SCHEMBL28772271 0.81 KMT2A (0.56) KMT2APTGS1PTGS2ALDH1A1MEN1
SCHEMBL13380255 0.80 KMT2A (0.55) KMT2APTGS1PTGS2ALDH1A1HPGD
SCHEMBL4677216 0.80 KMT2A (0.58) KMT2AACP3PTGS1PTGS2ALDH1A1
SCHEMBL4677219 0.80 KMT2A (0.58) KMT2AACP3PTGS1PTGS2ALDH1A1
SCHEMBL31477299 0.79 KMT2A (0.53) KMT2APTGS1PTGS2ALDH1A1HPGD
SCHEMBL7626977 0.79 KMT2A (0.53) KMT2APTGS1PTGS2ALDH1A1MEN1
SCHEMBL19419826 0.78 KMT2A (0.60) KMT2APTGS1PTGS2ALDH1A1HPGD

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-9346853-B2 Synthesis of telaprevir and boceprevir, or pharmaceutically acceptable salts or solvates as well as intermediate products thereof including β-amino acids prepared via Mukaiyama aldol addition SANDOZ AG (CH) 2016-05-24 US disclosed
US-20150183824-A1 SYNTHESIS OF TELAPREVIR AND BOCEPREVIR, OR PHARMACEUTICALLY ACCEPTABLE SALTS OR SOLVATES AS WELL AS INTERMEDIATE PRODUCTS THEREOF INCLUDING beta-AMINO ACIDS PREPARED VIA MUKAIYAMA ALDOL ADDITION SANDOZ AG (CH) 2015-07-02 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-20150183824-A1 SYNTHESIS OF TELAPREVIR AND BOCEPREVIR, OR PHARMACEUTICALLY ACCEPTABLE SALTS OR SOLVATES AS WELL AS INTERMEDIATE PRODUCTS THEREOF INCLUDING beta-AMINO ACIDS PREPARED VIA MUKAIYAMA ALDOL ADDITION MME, AGT, ACE KMT2A 3110/4885ACP3 3451/4885PTGS1 1925/4885

“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.