SCHEMBL21258669

SCHEMBL21258669

O=C(O)COCC1(F)CCN(c2cncc(N(c3ccccc3)c3cccc(OC(F)F)c3)n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.33
▸ KIT P10721 2/20 0.33
▸ PTGIR P43119 4/20 0.32
▸ FFAR4 Q5NUL3 2/20 0.31
▸ GALR2 O43603 1/20 0.31
▸ GALR1 P47211 1/20 0.31
▸ RET P07949 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ KDM2B Q8NHM5 1/20 0.31
▸ NR1H4 Q96RI1 1/20 0.30
▸ PTGDR Q13258 2/20 0.30
▸ ITGB3 P05106 1/20 0.30
▸ ITGA2B P08514 1/20 0.30

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
SCHEMBL21258693 0.93 PTGDR (0.33) KITPTGIRFFAR4PTGDR
SCHEMBL21258899 0.91 PTGIR (0.39) PTGIRFFAR4RETKDM4EPTGDR
SCHEMBL21258990 0.90 CYP11B2 (0.32) AKT1RETNR1H4
SCHEMBL21258940 0.90 PTGIR (0.35) PTGIRRETKDM4EITGB3ITGA2B
SCHEMBL21258966 0.88 PTGIR (0.40) PTGIRRETPTGDR
SCHEMBL21258828 0.85 PTGIR (0.37) PTGIRPTGDR
SCHEMBL21258676 0.85 PTGIR (0.38) PTGIRPTGDR
SCHEMBL21258877 0.85 PTGIR (0.37) PTGIRNR1H4PTGDR
SCHEMBL21258950 0.84 PTGIR (0.44) PTGIRPTGDR
SCHEMBL21258705 0.83 PTGIR (0.35) PTGIRFFAR4NR1H4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210338665-A1 MEDICAL USE OF PROSTACYCLIN RECEPTOR AGONIST CHINESE PLA GENERAL HOSPITAL (CN) 2021-11-04 — — US disclosed
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 (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-20210087168-A1 PROSTACYCLIN RECEPTOR AGONIST PTGIR, TBXA2R, PTGFR AKT1 2880/4885KIT 1080/4885PTGIR 1/4885
US-20210338665-A1 MEDICAL USE OF PROSTACYCLIN RECEPTOR AGONIST PTGIR, CYP11B2, PDE8A AKT1 1304/4885KIT 1551/4885PTGIR 1/4885

“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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