SCHEMBL505605

SCHEMBL505605

Cc1cc(C(=O)O)c2[nH]c(-c3ccc(Oc4ccc(C#N)cc4)cc3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 7/20 0.54
DHODH Q02127 11/20 0.53
KDM4C Q9H3R0 1/20 0.45
KDM5B Q9UGL1 1/20 0.45
PRSS12 P56730 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
SCHEMBL504576 0.88 DHODH (0.68) CHEK2DHODH
SCHEMBL13144812 0.86 DHODH (0.56) CHEK2DHODH
SCHEMBL506183 0.84 CHEK2 (0.54) CHEK2DHODHKDM4CKDM5BPRSS12
SCHEMBL10212022 0.82 DHODH (0.77) DHODH
SCHEMBL10267430 0.81 DHODH (0.70) CHEK2DHODH
SCHEMBL10212238 0.79 DHODH (0.64) DHODH
SCHEMBL10267791 0.75 DHODH (0.76) CHEK2DHODH
SCHEMBL10267950 0.75 DHODH (0.67) DHODH
SCHEMBL3917244 0.75 CHEK2 (0.68) CHEK2PRSS12
SCHEMBL505241 0.74 DHODH (0.68) DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414328-B1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO SA (CH) 2021-05-26 EP disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
US-9006454-B2 Dihydroorotate dehydrogenase inhibitors MERCK SERONO S.A. (CH) 2015-04-14 US disclosed
EP-2414328-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
US-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2012-02-02 US disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010115736-A2 DIHYDROOROTATE DEHYDROGENASE INHIBITORS MERCK SERONO S.A. (CH) 2010-10-14 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 (1 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-20120028959-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, FH, DPYD CHEK2 3343/4885DHODH 1/4885KDM4C 1099/4885

“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.