SCHEMBL21259000

SCHEMBL21259000

CC(C)(C)OC(=O)COCC1(F)CCN(c2cncc(N(c3ccccc3)c3ccccn3)n2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 4/20 0.36
▸ SKP1 P63208 4/20 0.36
▸ SKP2 Q13309 4/20 0.36
▸ GPR119 Q8TDV5 2/20 0.35
▸ CYP11B2 P19099 1/20 0.34
▸ HSD17B10 Q99714 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ USP1 O94782 2/20 0.32
▸ ACHE P22303 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ OPRM1 P35372 3/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL21258960 0.95 HTR1A (0.35) CKS1BSKP1SKP2GPR119CYP11B2
SCHEMBL21258997 0.94 ALDH1A1 (0.34) CKS1BSKP1SKP2GPR119CYP11B2
SCHEMBL21258981 0.93 ALDH1A1 (0.34) CKS1BSKP1SKP2GPR119CYP11B2
SCHEMBL21258717 0.93 HSD17B10 (0.37) CKS1BSKP1SKP2GPR119CYP11B2
SCHEMBL21258710 0.93 ALDH1A1 (0.33) CKS1BSKP1SKP2GPR119CYP11B2
SCHEMBL21258939 0.93 CKS1B (0.38) CKS1BSKP1SKP2GPR119CYP11B2
SCHEMBL21258713 0.91 CKS1B (0.35) CKS1BSKP1SKP2CYP11B2USP1
SCHEMBL21258998 0.91 CKS1B (0.35) CKS1BSKP1SKP2CYP11B2USP1
SCHEMBL21258973 0.90 CKS1B (0.34) CKS1BSKP1SKP2CYP11B2USP1
SCHEMBL21258959 0.89 PTGIR (0.38) HSD17B10ALDH1A1SMN1; SMN2HPGDCYP3A4

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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