SCHEMBL26426007

SCHEMBL26426007

O=Cc1cc(/C=C/c2ccc(C(F)(F)F)cc2)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.47
▸ AHR P35869 1/20 0.43
▸ NQO2 P16083 1/20 0.42
▸ NFE2L2 Q16236 2/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ FBP1 P09467 1/20 0.36
▸ CA1 P00915 2/20 0.35
▸ CA2 P00918 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ ADAM17 P78536 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ NR1H3 Q13133 1/20 0.34

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
SCHEMBL28960351 0.92 PTGS1 (0.37) PTGS1AHRNQO2NFE2L2HDAC1
SCHEMBL26426000 0.92 PTGS1 (0.37) PTGS1AHRNQO2NFE2L2HDAC1
SCHEMBL26425423 0.89 CYP1A1 (0.42) NFE2L2CYP1A2
SCHEMBL26425426 0.89 NFE2L2 (0.47) NFE2L2FBP1CA1CA2CA9
SCHEMBL26425434 0.87 NFE2L2 (0.40) PTGS1NFE2L2CYP1A2
SCHEMBL26425430 0.87 NFE2L2 (0.39) PTGS1AHRNFE2L2
SCHEMBL26425412 0.84 AHR (0.43) AHRNFE2L2
SCHEMBL24254424 0.84 MAPT (0.39) —
SCHEMBL26425427 0.83 ALDH1A1 (0.41) —
SCHEMBL26425416 0.82 NFE2L2 (0.47) PTGS1NQO2NFE2L2FBP1

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-20230129381-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF ANTICANCER-DRUG RESISTANT CANCERS THE GEORGE WASHINGTON UNIVERSITY 2023-04-27 — — US disclosed
CN-111333672-A Sterol regulatory element binding protein and acidic nucleoplasm DNA binding protein-1 inhibitor, and preparation method and application thereof 中国医学科学院放射医学研究所 2020-06-26 — — 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-20230129381-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF ANTICANCER-DRUG RESISTANT CANCERS TP53, ANXA5, MCL1 PTGS1 2360/4885AHR 3843/4885NQO2 1455/4885

“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.

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