SCHEMBL26425423

SCHEMBL26425423

O=Cc1cc(/C=C/c2ccccc2)ccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP1B1 Q16678 1/20 0.42
▸ PPARG P37231 3/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TUBB1 Q9H4B7 2/20 0.39
▸ NFE2L2 Q16236 3/20 0.36
▸ RELA Q04206 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TUBB4A P04350 1/20 0.36
▸ TUBB P07437 1/20 0.36
▸ TUBA3C P0DPH7 1/20 0.36
▸ TUBA1B P68363 1/20 0.36
▸ TUBA4A P68366 1/20 0.36
▸ TUBB4B P68371 1/20 0.36
▸ TUBB3 Q13509 1/20 0.36
▸ TUBB2A Q13885 1/20 0.36
▸ TUBB8 Q3ZCM7 1/20 0.36
▸ TUBA3E Q6PEY2 1/20 0.36
▸ TUBA1A Q71U36 1/20 0.36

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
SCHEMBL26425416 0.90 NFE2L2 (0.47) NFE2L2RELAMAOAMAOBHTR2A
SCHEMBL26426007 0.89 PTGS1 (0.47) CYP1A2NFE2L2
SCHEMBL26425434 0.89 NFE2L2 (0.40) CYP1A1CYP1A2CYP1B1PPARGALDH1A1
SCHEMBL26425420 0.89 RELA (0.42) CYP1A1CYP1A2CYP1B1PPARGALDH1A1
SCHEMBL26425426 0.89 NFE2L2 (0.47) NFE2L2LMNAMAOB
SCHEMBL26425419 0.89 NFE2L2 (0.42) CYP1A2NFE2L2RELAMAOAMAOB
SCHEMBL26426000 0.86 PTGS1 (0.37) ALDH1A1NFE2L2EPAS1
SCHEMBL26425412 0.86 AHR (0.43) PPARGALDH1A1NFE2L2EPAS1
SCHEMBL28960351 0.86 PTGS1 (0.37) ALDH1A1NFE2L2EPAS1
SCHEMBL30241117 0.86 NQO2 (0.51) CYP1A1CYP1A2CYP1B1TUBB1NFE2L2

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
US-20230129381-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF ANTICANCER-DRUG RESISTANT CANCERS THE GEORGE WASHINGTON UNIVERSITY 2023-04-27 — — 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-20230129381-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF ANTICANCER-DRUG RESISTANT CANCERS TP53, ANXA5, MCL1 CYP1A1 4837/4885CYP1A2 4846/4885CYP1B1 4823/4885

“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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