SCHEMBL21379597

SCHEMBL21379597

Cc1cc2oc(=O)c(F)c(C)c2c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 2/20 0.46
▸ ALDH2 P05091 2/20 0.44
▸ KDM4E B2RXH2 3/20 0.37
▸ THRB P10828 2/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ CLK2 P49760 1/20 0.35
▸ BRD4 O60885 1/20 0.35
▸ ALDH1A2 O94788 1/20 0.34
▸ ALDH1B1 P30837 1/20 0.34
▸ ALDH1A3 P47895 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ RXFP1 Q9HBX9 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ NQO1 P15559 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GLA P06280 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
SCHEMBL3063473 0.82 HSD17B3 (0.44) HSD17B3ALDH2KDM4EESR1ESR2
SCHEMBL1147722 0.82 HSD17B3 (0.51) HSD17B3KDM4EESR1ESR2CLK2
SCHEMBL2454830 0.81 ALDH1A1 (0.50) HSD17B3KDM4EBRD4ALDH1A1MAPT
SCHEMBL25190307 0.80 HSD17B3 (0.42) HSD17B3ALDH2KDM4ETHRBESR1
SCHEMBL4058366 0.78 RXFP1 (0.47) HSD17B3KDM4EBRD4ALDH1A1MAPT
SCHEMBL22010830 0.78 NUAK1 (0.33) ALDH2KDM4EADORA3ALDH1A1HPGD
SCHEMBL20957619 0.74 HSD17B3 (0.58) HSD17B3KDM4EESR1ESR2CLK2
SCHEMBL5483956 0.71 MAOB (0.56) KDM4EBRD4ALDH1A1MAPTMAOB
SCHEMBL17525029 0.70 ALDH2 (0.59) HSD17B3ALDH2KDM4ETHRBESR1
SCHEMBL6081605 0.70 HSD17B3 (0.43) HSD17B3KDM4EESR1ESR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11992479-B2 R-fadrozole for use in the treatment of aldostonerism DAMIAN PHARMA AG (CH) 2024-05-28 — — US disclosed
US-20230047158-A1 ALDOSTERONE SYNTHASE INHIBITOR DAMIAN PHARMA AG (CH) 2023-02-16 — — US disclosed
US-20210169861-A1 R-FADROZOLE FOR USE IN THE TREATMENT OF ALDOSTONERISM DAMIAN PHARMA AG (CH) 2021-06-10 — — US disclosed
US-20210024519-A1 ALDOSTERONE SYNTHASE INHIBITOR DAMIAN PHARMA AG (CH) 2021-01-28 — — US disclosed
CN-112055590-A R-fadrozole for the treatment of aldosteronism 达米安制药股份公司 2020-12-08 — — CN disclosed
US-10822332-B2 Aldosterone synthase inhibitor DAMIAN PHARMA AG (CH) 2020-11-03 — — US disclosed
US-20190292180-A1 ALDOSTERONE SYNTHASE INHIBITOR DAMIAN PHARMA AG (CH) 2019-09-26 — — 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 (6 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-11992479-B2 R-fadrozole for use in the treatment of aldostonerism CYP21A2, NR5A1, CYP17A1 HSD17B3 25/4885ALDH2 160/4885KDM4E 978/4885
US-20210024519-A1 ALDOSTERONE SYNTHASE INHIBITOR CYP21A2, CYP17A1, CYP11B1 HSD17B3 18/4885ALDH2 929/4885KDM4E 1845/4885
US-20190292180-A1 ALDOSTERONE SYNTHASE INHIBITOR CYP21A2, CYP17A1, CYP11B1 HSD17B3 18/4885ALDH2 929/4885KDM4E 1845/4885
US-20210169861-A1 R-FADROZOLE FOR USE IN THE TREATMENT OF ALDOSTONERISM CYP21A2, NR5A1, CYP17A1 HSD17B3 25/4885ALDH2 160/4885KDM4E 978/4885
US-20230047158-A1 ALDOSTERONE SYNTHASE INHIBITOR CYP21A2, CYP17A1, CYP11B1 HSD17B3 18/4885ALDH2 929/4885KDM4E 1845/4885
US-10822332-B2 Aldosterone synthase inhibitor CYP21A2, CYP17A1, CYP11B1 HSD17B3 18/4885ALDH2 929/4885KDM4E 1845/4885

“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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