SCHEMBL21258967

SCHEMBL21258967

CC(C)(C)OC(=O)COCC1(F)CCN(c2cncc(N(c3ccccc3)c3cccc(F)c3)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 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ PTGIR P43119 2/20 0.32
▸ CCNT1 O60563 2/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ RET P07949 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ USP1 O94782 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
SCHEMBL21258939 0.94 CKS1B (0.38) CKS1BSKP1SKP2CYP11B2USP30
SCHEMBL22781926 0.93 MEN1 (0.35) CKS1BSKP1SKP2CYP11B2USP30
SCHEMBL21258981 0.93 ALDH1A1 (0.34) CKS1BSKP1SKP2CYP11B2PTGIR
SCHEMBL21258946 0.91 CKS1B (0.33) CKS1BSKP1SKP2CYP11B2PTGIR
SCHEMBL21258990 0.89 CYP11B2 (0.32) CKS1BSKP1SKP2CYP11B2RET
SCHEMBL21258966 0.89 PTGIR (0.40) OPRM1KCNH2SIGMAR1PTGIRSLC6A2
SCHEMBL21258973 0.89 CKS1B (0.34) CKS1BSKP1SKP2CYP11B2USP1
SCHEMBL21258886 0.89 MEN1 (0.35) CKS1BSKP1SKP2CYP11B2USP30
SCHEMBL21258998 0.88 CKS1B (0.35) CKS1BSKP1SKP2CYP11B2PTGIR
SCHEMBL21258681 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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