SCHEMBL21359438

SCHEMBL21359438

COc1cccc(Oc2ccc(-c3cn[nH]c3)cc2C(=O)O)c1

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.64
▸ POLB P06746 1/20 0.64
▸ ROCK2 O75116 17/20 0.53
▸ ROCK1 Q13464 14/20 0.53
▸ PRKACA P17612 1/20 0.48
▸ PRKACG P22612 1/20 0.48
▸ PRKACB P22694 1/20 0.48

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 0.89 KDM4E (0.51) KDM4EPOLBROCK2ROCK1
SCHEMBL21359530 0.88 XDH (0.51) KDM4EPOLBROCK2ROCK1
SCHEMBL21359390 0.88 MIF (0.51) KDM4EPOLBROCK2ROCK1
SCHEMBL21359432 0.87 PTPN11 (0.47) KDM4EPOLBROCK2ROCK1
SCHEMBL21359482 0.86 XDH (0.51) KDM4EPOLBROCK2ROCK1
SCHEMBL21359485 0.86 MIF (0.51) KDM4EPOLBROCK2ROCK1
SCHEMBL21359555 0.83 PLAU (0.51) KDM4EPOLBROCK2ROCK1PRKACA
SCHEMBL21359523 0.82 MIF (0.66) KDM4EPOLBROCK2ROCK1
SCHEMBL21359470 0.82 XDH (0.48) KDM4EPOLBROCK2ROCK1
SCHEMBL22861324 0.81 ROCK2 (0.47) KDM4EROCK2ROCK1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999723-B2 Pyrazole-containing macrophage migration inhibitory factor inhibitors YALE UNIVERSITY (US) 2024-06-04 — — US disclosed
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors UNIV YALE (US) 2023-02-23 — — US disclosed
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors UNIV YALE (US) 2023-02-23 — — US disclosed
US-11465991-B2 Pyrazole-containing macrophage migration inhibitory factor inhibitors YALE UNIVERSITY (US) 2022-10-11 — — US disclosed
US-20210002264-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors UNIV YALE (US) 2021-01-07 — — 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 (4 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-11999723-B2 Pyrazole-containing macrophage migration inhibitory factor inhibitors MIF, MMP12, CSF1R KDM4E 1525/4885POLB 4781/4885ROCK2 1259/4885
US-11465991-B2 Pyrazole-containing macrophage migration inhibitory factor inhibitors MIF, MMP12, CSF1R KDM4E 1211/4885POLB 4740/4885ROCK2 1167/4885
US-20210002264-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors MIF, MMP12, CSF1R KDM4E 1211/4885POLB 4740/4885ROCK2 1167/4885
US-20230057076-A1 Pyrazole-Containing Macrophage Migration Inhibitory Factor Inhibitors MIF, MMP12, CSF1R KDM4E 1525/4885POLB 4781/4885ROCK2 1259/4885

“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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