SCHEMBL22990771

SCHEMBL22990771

CC(C)(C)OC(=O)Nc1cc(Cl)c(F)cc1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 1/20 0.44
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
RORC P51449 7/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38
ATR Q13535 1/20 0.38
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
EGFR P00533 1/20 0.37
AURKB Q96GD4 1/20 0.37
POLB P06746 2/20 0.36
APEX1 P27695 1/20 0.36
BRAF P15056 1/20 0.36
LMNA P02545 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
SCHEMBL29697261 1.00 CYP17A1 (0.44) CYP17A1HTTRXFP1RORCHSP90AA1
SCHEMBL30296599 0.88 CYP17A1 (0.43) CYP17A1HTTRXFP1RORCHSP90AA1
SCHEMBL14725520 0.87 CYP17A1 (0.48) CYP17A1RXFP1KCNQ4KCNQ5CA12
SCHEMBL4601158 0.87 AAK1 (0.44) CYP17A1HTTRXFP1RORCHSP90AA1
SCHEMBL3568182 0.87 AAK1 (0.40) CYP17A1HTTRXFP1RORCHSP90AA1
SCHEMBL2294920 0.85 ATR (0.40) CYP17A1HTTRXFP1RORCHSP90AA1
SCHEMBL30947444 0.84 CYP17A1 (0.42) CYP17A1HTTRXFP1RORCHSP90AA1
SCHEMBL29236468 0.84 CYP17A1 (0.42) CYP17A1HTTRXFP1RORCHSP90AA1
SCHEMBL2353023 0.84 AAK1 (0.40) CYP17A1HTTRXFP1RORCHSP90AA1
SCHEMBL24195970 0.83 TRPA1 (0.44) CYP17A1RORCHSP90AA1HSP90AB1KCNQ4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4010329-B9 DEUTERATED COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2023-10-04 EP disclosed
EP-4010080-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2023-09-27 EP disclosed
US-20230242503-A9 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2023-08-03 US disclosed
WO-2023125918-A1 DNA POLYMERASE THETA INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2023-07-06 WO disclosed
EP-4010329-B1 DEUTERATED COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LTD (GB) 2023-06-07 EP disclosed
US-20220298134-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2022-09-22 US disclosed
WO-2021028643-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028670-A1 DEUTERATED COMPOUNDS FOR USE IN THE TREATMENT OF CANCER ARTIOS PHARMA LIMITED (GB) 2021-02-18 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 (2 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-20230242503-A9 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER SDHA, SDHB, NQO1 CYP17A1 582/4885HTT 2071/4885RXFP1 4735/4885
US-20220298134-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF CANCER SDHA, SDHB, NQO1 CYP17A1 582/4885HTT 2071/4885RXFP1 4735/4885

“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.