SCHEMBL21258681

SCHEMBL21258681

COc1ccc(N(c2ccccc2)c2cncc(N3CCC(F)(COCC(=O)OC(C)(C)C)CC3)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 4/20 0.34
▸ SKP1 P63208 4/20 0.34
▸ SKP2 Q13309 4/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ OPRL1 P41146 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TLR9 Q9NR96 1/20 0.31
▸ OPRD1 P41143 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ SLC2A1 P11166 1/20 0.31
▸ CACNA1H O95180 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL21258939 0.94 CKS1B (0.38) CKS1BSKP1SKP2CYP11B2MAPK1
SCHEMBL21258946 0.93 CKS1B (0.33) CKS1BSKP1SKP2CYP11B2ALDH1A1
SCHEMBL21259007 0.92 CKS1B (0.34) CKS1BSKP1SKP2CYP11B2OPRM1
SCHEMBL21258972 0.92 CHRM4 (0.34) CKS1BSKP1SKP2CYP11B2LIPE
SCHEMBL22781926 0.92 MEN1 (0.35) CKS1BSKP1SKP2CYP11B2TP53
SCHEMBL21258717 0.92 HSD17B10 (0.37) CKS1BSKP1SKP2CYP11B2ALDH1A1
SCHEMBL21258691 0.92 CKS1B (0.33) CKS1BSKP1SKP2CYP11B2CYP3A4
SCHEMBL21258886 0.91 MEN1 (0.35) CKS1BSKP1SKP2CYP11B2CYP3A4
SCHEMBL21258676 0.90 PTGIR (0.38) ALDH1A1SMN1; SMN2CYP2C9HPGDMAPK1
SCHEMBL21258967 0.88 CKS1B (0.34) CKS1BSKP1SKP2CYP11B2OPRM1

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 CKS1B 3575/4885SKP1 2875/4885SKP2 3738/4885

“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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