SCHEMBL21359470

SCHEMBL21359470

Cc1ccc(Oc2ccc(-c3cn[nH]c3)cc2C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.48
▸ MIF P14174 1/20 0.46
▸ MCL1 Q07820 1/20 0.43
▸ CFD P00746 1/20 0.43
▸ DHODH Q02127 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ IDO1 P14902 3/20 0.42
▸ ROCK2 O75116 6/20 0.41
▸ ROCK1 Q13464 3/20 0.40
▸ SCN9A Q15858 1/20 0.40
▸ MELK Q14680 1/20 0.40
▸ LRRK2 Q5S007 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
SCHEMBL21359480 0.90 KDM4E (0.51) MIFCFDKDM4EPOLBROCK2
SCHEMBL21359335 0.89 MIF (0.53) XDHMIFMCL1CFDDHODH
SCHEMBL21359390 0.88 MIF (0.51) XDHMIFCFDKDM4EPOLB
SCHEMBL22861287 0.88 ROCK2 (0.43) POLBROCK2ROCK1
SCHEMBL21359486 0.88 MIF (0.51) XDHMIFCFDDHODHROCK2
SCHEMBL21359427 0.88 XDH (0.48) XDHMIFCFDDHODHKDM4E
SCHEMBL21359530 0.87 XDH (0.51) XDHMIFCFDDHODHKDM4E
SCHEMBL21359419 0.84 MELK (0.44) MIFKDM4EPOLBROCK2ROCK1
SCHEMBL21359523 0.83 MIF (0.66) MIFDHODHKDM4EPOLBROCK2
SCHEMBL21359560 0.81 IDO1 (0.50) MIFCFDIDO1ROCK2ROCK1

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
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors UNIV YALE (US) 2023-02-23 — — US disclosed
US-20210002264-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors UNIV YALE (US) 2021-01-07 — — US disclosed
WO-2019178480-A1 PYRAZOLE-CONTAINING MACROPHAGE MIGRATION INHIBITORY FACTOR INHIBITORS YALE UNIVERSITY (US) 2019-09-19 — — WO 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-20210002264-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors MIF, MMP12, CSF1R XDH 2312/4885MIF 1/4885MCL1 1082/4885
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors MIF, MMP12, CSF1R XDH 1873/4885MIF 1/4885MCL1 1021/4885

“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.

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