SCHEMBL21593114

SCHEMBL21593114

Cc1ccc(S(=O)(=O)n2ccc3c(Oc4ccc5c(c4)CN(C(=O)OC(C)(C)C)CC5)ccnc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 1/20 0.44
▸ ESR2 Q92731 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HTR6 P50406 3/20 0.36
▸ GPR119 Q8TDV5 4/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ ACACB O00763 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.34
▸ IGF1R P08069 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ BCHE P06276 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
SCHEMBL21593063 0.88 NR1H2 (0.46) NR1H2ESR2ALDH1A1HPGDHSD17B10
SCHEMBL21593084 0.85 NR1H2 (0.42) NR1H2ESR2ALDH1A1HPGDHSD17B10
SCHEMBL21593173 0.82 NR1H2 (0.39) NR1H2ESR2HTR6ACACB
SCHEMBL21593108 0.81 NR1H2 (0.42) NR1H2ESR2ALDH1A1HPGDHSD17B10
SCHEMBL21593106 0.81 NR1H2 (0.39) NR1H2ESR2ALDH1A1HPGDHSD17B10
SCHEMBL21593191 0.81 NR1H2 (0.38) NR1H2ESR2ALDH1A1HPGDHSD17B10
SCHEMBL23326766 0.81 NR1H2 (0.47) NR1H2ESR2GPR119ACACBMAPT
SCHEMBL21470766 0.79 HTR6 (0.39) HTR6HDAC8BCHE
SCHEMBL21593189 0.79 NR1H2 (0.37) NR1H2ESR2ALDH1A1HPGDHSD17B10
SCHEMBL25259649 0.79 HTR6 (0.41) NR1H2ESR2HTR6GPR119L3MBTL1

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-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2021-08-19 — — US disclosed
WO-2019238628-A1 AZAINDOLE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2019-12-19 — — 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 (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-20210253568-A1 AZAINDOLE DERIVATIVES AS RHO-KINASE INHIBITORS ROCK1, ROCK2, RHOA NR1H2 1422/4885ESR2 3940/4885ALDH1A1 1778/4885

“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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