SCHEMBL20673162

SCHEMBL20673162

COc1ccc(F)c(-c2ccc(NC(=O)C3=C(C(=O)O)CCC3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 19/20 0.63
NR4A2 P43354 6/20 0.60
JMJD7 P0C870 1/20 0.60
NR4A1 P22736 1/20 0.60
NR4A3 Q92570 1/20 0.60
NR1H4 Q96RI1 1/20 0.60
NPSR1 Q6W5P4 1/20 0.54

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
SCHEMBL3924749 0.85 DHODH (0.72) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3924512 0.84 DHODH (0.72) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL246019 0.82 DHODH (0.59) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL252550 0.81 DHODH (0.73) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL252180 0.80 DHODH (0.72) DHODHNR4A2NPSR1
SCHEMBL3915685 0.80 DHODH (0.60) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3926132 0.78 DHODH (0.61) DHODHNR4A2NPSR1
SCHEMBL3925167 0.77 DHODH (1.00) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL249278 0.77 DHODH (0.69) DHODHNR4A2JMJD7NR4A1NR4A3
SCHEMBL3914884 0.77 DHODH (0.78) DHODHNR4A2JMJD7NR4A1NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190025313-A1 TREATMENT OF TUMORS INCORPORATING MUTANT ISOCITRATE DEHYDROGENASE SERVIER PHARMACEUTICALS LLC 2019-01-24 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 (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-20190025313-A1 TREATMENT OF TUMORS INCORPORATING MUTANT ISOCITRATE DEHYDROGENASE DHODH, IDH1, IDH3A DHODH 1/4885NR4A2 3748/4885JMJD7 1633/4885

“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.