SCHEMBL6435794

SCHEMBL6435794

NCCNS(=O)(=O)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
CA2 P00918 8/20 0.46
CA1 P00915 6/20 0.46
CA7 P43166 2/20 0.41
CA13 Q8N1Q1 1/20 0.41
CYP3A4 P08684 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 1/20 0.35
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GRIA4 P48058 1/20 0.31
CA12 O43570 1/20 0.30
CA6 P23280 1/20 0.30
RECQL P46063 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30
IDO1 P14902 1/20 0.30
KDM4E B2RXH2 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
Hydrochloric Acid SCHEMBL927607 0.98 EPHX1 (0.50) EPHX1CA2CA1CA7CA13
SCHEMBL864359 0.86 EPHX1 (0.59) EPHX1CA2CA1CA7CA13
SCHEMBL7870212 0.84 EPHX1 (0.62) EPHX1CA2CA1CA7CA13
SCHEMBL12789664 0.84 EPHX1 (0.60) EPHX1CA2CA1CA7CA13
SCHEMBL28375139 0.82 EPHX1 (0.66) EPHX1CA2CA1CA7CYP3A4
SCHEMBL28379256 0.82 EPHX1 (0.66) EPHX1CA2CA1CA7CYP3A4
SCHEMBL14949357 0.80 EPHX1 (0.37) EPHX1CA2CA1CA7CA13
SCHEMBL13477464 0.80 EPHX1 (0.52) EPHX1CA2CA1CA7CA13
SCHEMBL606518 0.77 EPHX1 (0.54) EPHX1CA2CA1CA7CA13
SCHEMBL6308405 0.75 EPHX1 (0.52) EPHX1CA2CA1CA7CA13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12516022-B2 Derivatives of aryl hydrocarbon receptor agonists AZORA THERAPEUTICS, INC. (US) 2026-01-06 US disclosed
EP-4412991-A1 DERIVATIVES OF ARYL HYDROCARBON RECEPTOR AGONISTS AZORA THERAPEUTICS, INC. (US) 2024-08-14 EP disclosed
CN-118317948-A Derivatives of aromatic hydrocarbon receptor agonists 阿佐拉治疗股份有限公司 2024-07-09 CN disclosed
US-20240182416-A1 DERIVATIVES OF ARYL HYDROCARBON RECEPTOR AGONISTS AZORA THERAPEUTICS, INC. 2024-06-06 US disclosed
US-11834412-B2 Derivatives of aryl hydrocarbon receptor agonists AZORA THERAPEUTICS, INC. (US) 2023-12-05 US disclosed
US-20230227408-A1 DERIVATIVES OF ARYL HYDROCARBON RECEPTOR AGONISTS AZORA THERAPEUTICS, INC. 2023-07-20 US disclosed
WO-2023060268-A1 DERIVATIVES OF ARYL HYDROCARBON RECEPTOR AGONISTS AZORA THERAPEUTICS, INC. (US) 2023-04-13 WO disclosed
US-9751888-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-09-05 US disclosed
US-20120083489-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS GLAXOSMITHKLINE LLC 2012-04-05 US disclosed
US-20110015225-A1 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-20 US disclosed
WO-2010141539-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR 1 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2010-12-09 WO disclosed
EP-0982286-B1 Diene compounds and process for preparing the same TAKASAGO PERFUMERY CO LTD (JP) 2005-02-23 EP disclosed
US-6323174-B1 PERFUME COMPOSITION AT LEAST COMPRISING 4-METHYL-5-HEXEN-1-AL TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-11-27 US disclosed
US-6239324-B1 REACTING A 1,3-BUTADIENE WITH OLEFIN IN PRESENCE OF HYDROPHILIC SOLVENT AND RUTHENIUM COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2001-05-29 US disclosed
EP-0982286-A2 Diene compounds and process for preparing the same Takasago International Corporation (JP) 2000-03-01 EP 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 (5 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-20230227408-A1 DERIVATIVES OF ARYL HYDROCARBON RECEPTOR AGONISTS AHR, ARNT, NR4A1 EPHX1 1923/4885CA2 4625/4885CA1 4880/4885
US-11834412-B2 Derivatives of aryl hydrocarbon receptor agonists AHR, ARNT, NR4A1 EPHX1 1923/4885CA2 4625/4885CA1 4880/4885
US-20120083489-A1 BIS-PYRIDYLPYRIDONES AS MELANIN-CONCENTRATING HORMONE RECEPTOR ANTAGONISTS MCHR1, MCHR2, MC1R EPHX1 1857/4885CA2 4067/4885CA1 4882/4885
US-20240182416-A1 DERIVATIVES OF ARYL HYDROCARBON RECEPTOR AGONISTS AHR, ARNT, NR4A1 EPHX1 1923/4885CA2 4625/4885CA1 4880/4885
US-20110015225-A1 Heterocyclic compound MC1R, MCHR1, MCHR2 EPHX1 1497/4885CA2 2125/4885CA1 4628/4885

“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.