SCHEMBL21359530

SCHEMBL21359530

Cc1cccc(Oc2ccc(-c3cn[nH]c3)cc2C(=O)O)c1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 1/20 0.51
▸ SLC22A12 Q96S37 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MIF P14174 1/20 0.46
▸ ROCK2 O75116 9/20 0.44
▸ PLAU P00749 1/20 0.44
▸ ROCK1 Q13464 7/20 0.44
▸ IDO1 P14902 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ F3 P13726 1/20 0.41
▸ CFD P00746 1/20 0.41
▸ LYN P07948 1/20 0.41
▸ DHODH Q02127 1/20 0.41

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
SCHEMBL22861282 0.89 ROCK2 (0.47) XDHSLC22A12ROCK2ROCK1
SCHEMBL21359438 0.88 KDM4E (0.64) KDM4EPOLBROCK2ROCK1
SCHEMBL21359390 0.88 MIF (0.51) XDHSLC22A12KDM4EPOLBMIF
SCHEMBL21359432 0.87 PTPN11 (0.47) KDM4EPOLBMIFROCK2ROCK1
SCHEMBL21359470 0.87 XDH (0.48) XDHKDM4EPOLBMIFROCK2
SCHEMBL21359485 0.86 MIF (0.51) KDM4EPOLBMIFROCK2ROCK1
SCHEMBL21359482 0.86 XDH (0.51) XDHSLC22A12KDM4EPOLBMIF
SCHEMBL21359335 0.85 MIF (0.53) XDHSLC22A12KDM4EPOLBMIF
SCHEMBL21359555 0.83 PLAU (0.51) KDM4EPOLBMIFROCK2PLAU
SCHEMBL21359480 0.82 KDM4E (0.51) KDM4EPOLBMIFROCK2ROCK1

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 2312/4885SLC22A12 1000/4885KDM4E 1211/4885
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors MIF, MMP12, CSF1R XDH 1873/4885SLC22A12 1043/4885KDM4E 1525/4885

“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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