SCHEMBL21258990

SCHEMBL21258990

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

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 1/20 0.32
▸ CKS1B P61024 2/20 0.32
▸ SKP1 P63208 2/20 0.32
▸ SKP2 Q13309 2/20 0.32
▸ RET P07949 1/20 0.31
▸ NR1H4 Q96RI1 6/20 0.31
▸ AKT1 P31749 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
SCHEMBL21258691 0.94 CKS1B (0.33) CYP11B2CKS1BSKP1SKP2RET
SCHEMBL21258946 0.93 CKS1B (0.33) CYP11B2CKS1BSKP1SKP2
SCHEMBL21258992 0.92 CKS1B (0.33) CYP11B2CKS1BSKP1SKP2RET
SCHEMBL21258939 0.91 CKS1B (0.38) CYP11B2CKS1BSKP1SKP2
SCHEMBL21258669 0.90 AKT1 (0.33) RETNR1H4AKT1
SCHEMBL21258967 0.89 CKS1B (0.34) CYP11B2CKS1BSKP1SKP2RET
SCHEMBL21258681 0.87 CKS1B (0.34) CYP11B2CKS1BSKP1SKP2
SCHEMBL22781926 0.87 MEN1 (0.35) CYP11B2CKS1BSKP1SKP2
SCHEMBL21258886 0.86 MEN1 (0.35) CYP11B2CKS1BSKP1SKP2
SCHEMBL21258952 0.86 PTGIR (0.37) CKS1BSKP1SKP2

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 CYP11B2 58/4885CKS1B 3575/4885SKP1 2875/4885

“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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