SCHEMBL21090366

SCHEMBL21090366

CC(C)(C)OC(=O)NCCc1cccc(Oc2cccc(CO)c2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 2/20 0.47
NQO2 P16083 1/20 0.47
POLB P06746 1/20 0.44
NAMPT P43490 1/20 0.44
KDM4E B2RXH2 1/20 0.44
IDO1 P14902 1/20 0.44
CA2 P00918 2/20 0.43
CA1 P00915 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
CNR1 P21554 1/20 0.42
GLI1 P08151 1/20 0.42
GLI2 P10070 1/20 0.42

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
SCHEMBL5354570 0.91 FDFT1 (0.57) FDFT1NQO2NAMPTIDO1GLI1
SCHEMBL9985225 0.91 NQO2 (0.52) NQO2POLBNAMPTKDM4EIDO1
SCHEMBL21089804 0.87 NQO2 (0.49) NQO2POLBNAMPTKDM4EIDO1
SCHEMBL6203942 0.87 FDFT1 (0.47) FDFT1NQO2POLBNAMPTKDM4E
SCHEMBL21090363 0.86 CYP4F2 (0.49) FDFT1NQO2CA2CA1
SCHEMBL6204579 0.86 MTNR1A (0.58) POLBCA2CA1MTNR1AMTNR1B
SCHEMBL6202190 0.84 PLAAT3 (0.48) FDFT1NQO2POLBNAMPTKDM4E
SCHEMBL17974300 0.84 CA12 (0.54) POLBIDO1CA2CA1MTNR1A
SCHEMBL21089840 0.82 CA12 (0.55) IDO1CA2CA1
SCHEMBL29828661 0.82 MTNR1A (0.48) NQO2POLBNAMPTCA2CA1

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-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 FDFT1 907/4885NQO2 933/4885POLB 804/4885
US-10577383-B2 Macrocyclic inhibitors of myeloperoxidase EPX, MPO, SERPINB1 FDFT1 907/4885NQO2 933/4885POLB 804/4885

“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.