SCHEMBL21258920

SCHEMBL21258920

O=C(O)COCC1(F)CCN(c2cncc(C(O)(c3ccccc3)c3ccccc3)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 4/20 0.34
▸ ACSS2 Q9NR19 1/20 0.33
▸ CKS1B P61024 2/20 0.33
▸ SKP1 P63208 2/20 0.33
▸ SKP2 Q13309 2/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ LYPLA2 O95372 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ ABHD11 Q8NFV4 1/20 0.32
▸ DAGLA Q9Y4D2 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ RAF1 P04049 1/20 0.31
▸ BRAF P15056 1/20 0.31
▸ HCRTR1 O43613 1/20 0.31
▸ HCRTR2 O43614 1/20 0.31
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ VNN1 O95497 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
SCHEMBL21259004 0.89 CKS1B (0.39) PTPN11ACSS2CKS1BSKP1SKP2
SCHEMBL21258690 0.89 CKS1B (0.33) PTPN11CKS1BSKP1SKP2CYP11B2
SCHEMBL23135165 0.84 CYP11B2 (0.30) CYP11B2
SCHEMBL21259003 0.83 PTPN11 (0.36) PTPN11ACSS2LYPLA2DRD2OPRM1
SCHEMBL21258940 0.81 PTGIR (0.35) PTPN11HSD11B1HCRTR1HCRTR2ITGB3
SCHEMBL21258918 0.80 NPC1 (0.35) PTPN11DRD3HSD11B1HCRTR1HCRTR2
SCHEMBL21259011 0.79 CKS1B (0.38) PTPN11CKS1BSKP1SKP2CYP11B2
SCHEMBL21258828 0.77 PTGIR (0.37) —
SCHEMBL21258877 0.76 PTGIR (0.37) DRD3
SCHEMBL21258959 0.76 PTGIR (0.38) OPRM1SMN1; SMN2ALDH1A1CYP1A2CYP3A4

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 PTPN11 2006/4885ACSS2 1956/4885CKS1B 3575/4885

“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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