SCHEMBL6044080

SCHEMBL6044080

O=C(O)c1cc(F)c2c(nnn2C(C(F)(F)F)C(F)(F)F)c1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
HPGD P15428 1/20 0.30
HCAR3 P49019 1/20 0.30
HCAR2 Q8TDS4 1/20 0.30

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
SCHEMBL6044683 0.80 HCAR3 (0.36) HPGDHCAR3HCAR2
SCHEMBL6044124 0.78 KDM4E (0.34) HPGDHCAR3HCAR2
SCHEMBL6043987 0.76
SCHEMBL6043601 0.76 KDM4C (0.34) KEAP1NFE2L2
SCHEMBL6044534 0.73 HCAR3 (0.35) HPGDHCAR3HCAR2
SCHEMBL6044112 0.72 HCAR3 (0.43) HPGDHCAR3HCAR2
SCHEMBL6044199 0.71 HCAR3 (0.41) KEAP1NFE2L2HCAR3
SCHEMBL6044998 0.69 HCAR3 (0.43) KEAP1NFE2L2HCAR3
SCHEMBL6044060 0.69 HCAR3 (0.33) HPGDHCAR3HCAR2
SCHEMBL6044186 0.66 HCAR3 (0.42) KEAP1HPGDHCAR3HCAR2

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-20060122240-A1 Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof ARENA PHARMACEUTICALS, INC. (US) 2006-06-08 US disclosed
WO-2004041274-A1 BENZOTRIAZOLES AND METHODS OF PROPHYLAXIS OR TREATMENT OF METABOLIC-RELATED DISORDERS THEREOF ARENA PHARMACEUTICALS, INC. (US) 2004-05-21 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-20060122240-A1 Benzotriazoles and methods of prophylaxis or treatment of metabolic-related disorders thereof GCGR, GPR119, HMGCR KEAP1 249/4885NFE2L2 754/4885HPGD 382/4885

“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.