SCHEMBL29458677

SCHEMBL29458677

CC(Oc1ncccc1C(=O)O)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 3/20 0.48
NAPRT Q6XQN6 2/20 0.46
TDP1 Q9NUW8 3/20 0.45
KDM4E B2RXH2 2/20 0.45
DHODH Q02127 5/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 1/20 0.44
LMNA P02545 2/20 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
SCHEMBL29499556 0.87 MKNK2 (0.49) MKNK2KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL29473340 0.87 MKNK2 (0.49) MKNK2KDM4ESMN1; SMN2NPC1RAB9A
SCHEMBL15694859 0.83 KDM4E (0.52) NAPRTTDP1KDM4EDHODHL3MBTL1
SCHEMBL15662417 0.81 KDM4E (0.50) NAPRTTDP1KDM4EDHODHL3MBTL1
SCHEMBL3932209 0.80 NAPRT (0.53) NAPRTTDP1KDM4EDHODHL3MBTL1
SCHEMBL30087468 0.78 DHODH (0.57) NAPRTTDP1KDM4EDHODHL3MBTL1
SCHEMBL2301749 0.78 DHODH (0.57) NAPRTTDP1KDM4EDHODHL3MBTL1
SCHEMBL9730378 0.78 MAPK8 (0.51) NAPRTTDP1KDM4EDHODHL3MBTL1
SCHEMBL27931903 0.77 NAPRT (0.50) NAPRTTDP1KDM4EDHODHL3MBTL1
SCHEMBL2368857 0.75 MKNK2 (0.41) MKNK2KDM4EL3MBTL1

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-20220081422-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS JANSSEN BIOTECH, INC. 2022-03-17 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-20220081422-A1 DIHYDROOROTATE DEHYDROGENASE INHIBITORS DHODH, DLD, DPYD MKNK2 4324/4885NAPRT 389/4885TDP1 497/4885

“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.