SCHEMBL21258979

SCHEMBL21258979

COc1cccc(N(c2ccccc2)c2cncc(N3CCC(COCC(=O)OC(C)(C)C)CC3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGIR P43119 6/20 0.44
▸ PTGDR Q13258 2/20 0.44
▸ ACHE P22303 1/20 0.40
▸ CKS1B P61024 1/20 0.39
▸ SKP1 P63208 1/20 0.39
▸ SKP2 Q13309 1/20 0.39
▸ FFAR1 O14842 9/20 0.38
▸ SLC2A1 P11166 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 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
SCHEMBL21258941 0.93 PTGIR (0.44) PTGIRPTGDRACHECKS1BSKP1
SCHEMBL21258988 0.92 CKS1B (0.44) PTGIRPTGDRCKS1BSKP1SKP2
SCHEMBL21258952 0.92 PTGIR (0.37) PTGIRPTGDRCKS1BSKP1SKP2
SCHEMBL21258969 0.92 PTGIR (0.43) PTGIRPTGDRCKS1BSKP1SKP2
SCHEMBL21258896 0.90 PTGIR (0.54) PTGIRPTGDRACHEFFAR1
SCHEMBL21258862 0.90 PTGIR (0.44) PTGIRPTGDRCKS1BSKP1SKP2
SCHEMBL21258854 0.90 PTGIR (0.42) PTGIRPTGDRCKS1BSKP1SKP2
SCHEMBL21258657 0.88 PTGIR (0.43) PTGIRPTGDRCKS1BSKP1SKP2
SCHEMBL21258986 0.87 PTGIR (0.42) PTGIRPTGDRCKS1BSKP1SKP2
SCHEMBL21258912 0.87 PTGIR (0.42) PTGIRPTGDRCKS1BSKP1SKP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210087168-A1 PROSTACYCLIN RECEPTOR AGONIST MEDSHINE DISCOVERY INC. (CN) 2021-03-25 — — US disclosed
EP-3750879-A1 PROSTACYCLIN RECEPTOR AGONIST Medshine Discovery Inc. (CN) 2020-12-16 — — EP disclosed
WO-2019154363-A1 PROSTACYCLIN RECEPTOR AGONIST 南京明德新药研发有限公司 2019-08-15 — — 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-20210087168-A1 PROSTACYCLIN RECEPTOR AGONIST PTGIR, TBXA2R, PTGFR PTGIR 1/4885PTGDR 9/4885ACHE 4008/4885

“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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