SCHEMBL31026697

SCHEMBL31026697

N#CC1=C(C(=O)Nc2c(F)c(F)c(-c3cccc(OC(F)(F)F)c3)c(F)c2F)CCC1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 18/20 0.77
DHFR P00374 2/20 0.55
NR4A2 P43354 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
SCHEMBL25839318 1.00 DHODH (0.77) DHODHDHFRNR4A2
SCHEMBL517489 0.87 DHODH (1.00) DHODHDHFRNR4A2
SCHEMBL31326983 0.86 DHODH (0.83) DHODHDHFRNR4A2
SCHEMBL25839308 0.86 DHODH (0.83) DHODHDHFRNR4A2
SCHEMBL25839326 0.84 DHODH (0.80) DHODHDHFRNR4A2
SCHEMBL31326971 0.83 DHODH (0.77) DHODHDHFRNR4A2
SCHEMBL31326972 0.83 DHODH (0.77) DHODHDHFRNR4A2
SCHEMBL25837167 0.83 DHODH (0.77) DHODHDHFRNR4A2
SCHEMBL25837168 0.83 DHODH (0.77) DHODHDHFRNR4A2
SCHEMBL25838915 0.82 DHODH (0.76) DHODHDHFRNR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250066290-A1 DHODH INHIBITORS CONTAINING A CARBOXYLIC ACID BIOISOSTERE IMMUNIC AG (DE) 2025-02-27 US disclosed
CN-118382610-A DHODH inhibitors containing carboxylic acid bioisosteres 埃慕尼克股份公司 2024-07-23 CN 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-20250066290-A1 DHODH INHIBITORS CONTAINING A CARBOXYLIC ACID BIOISOSTERE DHODH, DBH, DOHH DHODH 1/4885DHFR 47/4885NR4A2 2440/4885

“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.