SCHEMBL21089591

SCHEMBL21089591

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.39
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KLKB1 P03952 4/20 0.34
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 1/20 0.30
TUBA3E Q6PEY2 1/20 0.30
TUBA1A Q71U36 1/20 0.30
TUBA1C Q9BQE3 1/20 0.30
TUBB6 Q9BUF5 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
SCHEMBL28652714 1.00 FFAR1 (0.39) FFAR1MEN1KMT2AKLKB1KDM4E
SCHEMBL21049929 0.83 MEN1 (0.45) FFAR1MEN1KMT2AKLKB1KDM4E
SCHEMBL21049930 0.83 MEN1 (0.45) FFAR1MEN1KMT2AKLKB1KDM4E
SCHEMBL21049908 0.78 MEN1 (0.43) FFAR1MEN1KMT2AKLKB1KDM4E
SCHEMBL21049880 0.77 MEN1 (0.44) FFAR1MEN1KMT2AKLKB1KDM4E
SCHEMBL21089621 0.76 MEN1 (0.46) FFAR1MEN1KMT2AKLKB1KDM4E
SCHEMBL29801659 0.76 MEN1 (0.60) FFAR1MEN1KMT2AKLKB1KDM4E
SCHEMBL14858045 0.76 MEN1 (0.60) FFAR1MEN1KMT2AKLKB1KDM4E
SCHEMBL28652983 0.75 FFAR1 (0.40) FFAR1MEN1KMT2AKLKB1KDM4E
SCHEMBL16968989 0.74 FFAR1 (0.46) FFAR1MEN1KMT2AKLKB1

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 3 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-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 FFAR1 2438/4885MEN1 4596/4885KMT2A 3392/4885
US-10577383-B2 Macrocyclic inhibitors of myeloperoxidase EPX, MPO, SERPINB1 FFAR1 2438/4885MEN1 4596/4885KMT2A 3392/4885

“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.