SCHEMBL21049929

SCHEMBL21049929

C[C@H](N)Cc1cccc(Oc2cccc(Cn3cc(B4OC(C)(C)C(C)(C)O4)cn3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TAAR1 Q96RJ0 2/20 0.41
FFAR1 O14842 1/20 0.41
KLKB1 P03952 5/20 0.37
KDM4E B2RXH2 1/20 0.35
LPL P06858 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
TRPV6 Q9H1D0 1/20 0.34
DGAT1 O75907 1/20 0.34
TAS2R8 Q9NYW2 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
ANPEP P15144 1/20 0.33
LAP3 P28838 1/20 0.33
PNMT P11086 1/20 0.33
FAAH O00519 1/20 0.32

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
SCHEMBL21049930 1.00 MEN1 (0.45) MEN1KMT2ATAAR1FFAR1KLKB1
SCHEMBL21049908 0.90 MEN1 (0.43) MEN1KMT2AFFAR1KLKB1KDM4E
SCHEMBL21089621 0.87 MEN1 (0.46) MEN1KMT2ATAAR1FFAR1KLKB1
SCHEMBL21049880 0.85 MEN1 (0.44) MEN1KMT2AFFAR1KLKB1KDM4E
SCHEMBL29801659 0.84 MEN1 (0.60) MEN1KMT2AFFAR1KLKB1KDM4E
SCHEMBL14858045 0.84 MEN1 (0.60) MEN1KMT2AFFAR1KLKB1KDM4E
SCHEMBL28652714 0.83 FFAR1 (0.39) MEN1KMT2AFFAR1KLKB1KDM4E
SCHEMBL21089591 0.83 FFAR1 (0.39) MEN1KMT2AFFAR1KLKB1KDM4E
SCHEMBL28652983 0.82 FFAR1 (0.40) MEN1KMT2AFFAR1KLKB1KDM4E
SCHEMBL21049883 0.80 MEN1 (0.46) MEN1KMT2AFFAR1KLKB1LPL

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
CN-109689661-B Macrocyclic inhibitors of myeloperoxidase 百时美施贵宝公司 2021-10-15 CN disclosed
US-10577383-B2 Macrocyclic inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-03 US disclosed
US-10577383-B2 Macrocyclic inhibitors of myeloperoxidase BRISTOL-MYERS SQUIBB COMPANY (US) 2020-03-03 US disclosed
US-20190177340-A1 MACROCYCLIC INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-06-13 US disclosed
US-20190177340-A1 MACROCYCLIC INHIBITORS OF MYELOPEROXIDASE BRISTOL MYERS SQUIBB CO (US) 2019-06-13 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 (2 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-20190177340-A1 MACROCYCLIC INHIBITORS OF MYELOPEROXIDASE EPX, MPO, SERPINB1 MEN1 4596/4885KMT2A 3392/4885TAAR1 4137/4885
US-10577383-B2 Macrocyclic inhibitors of myeloperoxidase EPX, MPO, SERPINB1 MEN1 4596/4885KMT2A 3392/4885TAAR1 4137/4885

“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.