SCHEMBL29533045

SCHEMBL29533045

CC1(C)OB(c2cc(N)ccc2Oc2ccc(F)cc2F)OC1(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSPB1 P04792 2/20 0.39
BRD4 O60885 2/20 0.38
MAPK14 Q16539 1/20 0.37
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
TRPA1 O75762 8/20 0.35
PTGS2 P35354 1/20 0.34
ALDH1A1 P00352 1/20 0.34
EGFR P00533 1/20 0.34
MAP4K4 O95819 1/20 0.33

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
SCHEMBL15069672 1.00 HSPB1 (0.39) HSPB1BRD4MAPK14LPLLIPG
SCHEMBL20155072 0.90 MEN1 (0.40) HSPB1LPLLIPGALDH1A1EGFR
SCHEMBL20160238 0.88 SLC6A4 (0.38) BRD4LPLLIPGPTGS2EGFR
SCHEMBL20155409 0.87 SLC6A2 (0.39) PTGS2ALDH1A1EGFR
SCHEMBL20155416 0.87 SLC6A2 (0.40) LPLLIPGALDH1A1EGFR
SCHEMBL20155120 0.86 ALDH1A1 (0.40) HSPB1BRD4LPLLIPGTRPA1
SCHEMBL21904898 0.85 LPL (0.41) HSPB1MAPK14LPLLIPGALDH1A1
SCHEMBL20155663 0.85 HSPB1 (0.36) HSPB1LPLLIPGTRPA1PTGS2
SCHEMBL20155469 0.84 KDM4E (0.42) LPLLIPGALDH1A1
SCHEMBL21904915 0.83 HSPB1 (0.39) HSPB1BRD4MAPK14LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023088493-A1 FURO-PYRIDONE COMPOUND AND USE THEREOF 中国科学院广州生物医药与健康研究院 2023-05-25 WO disclosed
EP-4143166-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS Nuvation Bio Inc. (US) 2023-03-08 EP disclosed
CN-112424200-B Iminosulfones compound as bromodomain protein inhibitor, pharmaceutical composition and medical application thereof 正大天晴药业集团股份有限公司 2022-09-20 CN disclosed
US-20220213122-A1 SUBSTITUTED 1,6-DIHYDROPYRIDINONES AND 1,2-DIHYDROISOQUINOLINONES AS BET INHIBITORS NUVATION BIO INC (US) 2022-07-07 US disclosed
EP-3997070-A1 HETEROCYCLIC COMPOUNDS AS BET INHIBITORS Nuvation Bio Inc. (US) 2022-05-18 EP disclosed
CN-114286818-A Heterocyclic compounds as BET inhibitors 诺维逊生物股份有限公司 2022-04-05 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-20220213122-A1 SUBSTITUTED 1,6-DIHYDROPYRIDINONES AND 1,2-DIHYDROISOQUINOLINONES AS BET INHIBITORS BET1, BRD4, BRD3 HSPB1 606/4885BRD4 2/4885MAPK14 2886/4885

“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.