SCHEMBL21258690

SCHEMBL21258690

COC(c1ccccc1)(c1ccccc1)c1cncc(N2CCC(F)(COCC(=O)O)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 2/20 0.33
▸ SKP1 P63208 2/20 0.33
▸ SKP2 Q13309 2/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ PTPN11 Q06124 3/20 0.32
▸ DAGLA Q9Y4D2 1/20 0.32
▸ HSD17B10 Q99714 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ BRAF P15056 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
SCHEMBL21259011 0.90 CKS1B (0.38) CKS1BSKP1SKP2CYP11B2PTPN11
SCHEMBL21258920 0.89 PTPN11 (0.34) CKS1BSKP1SKP2CYP11B2PTPN11
SCHEMBL21259010 0.85 PTPN11 (0.33) CKS1BSKP1SKP2CYP11B2PTPN11
SCHEMBL21259004 0.80 CKS1B (0.39) CKS1BSKP1SKP2CYP11B2PTPN11
SCHEMBL23135165 0.79 CYP11B2 (0.30) CYP11B2
SCHEMBL21258940 0.78 PTGIR (0.35) PTPN11HSD17B10SMN1; SMN2ALDH1A1CYP3A4
SCHEMBL21258918 0.77 NPC1 (0.35) PTPN11HSD17B10SMN1; SMN2ALDH1A1DRD3
SCHEMBL21258676 0.76 PTGIR (0.38) HSD17B10HPGDSMN1; SMN2ALDH1A1CYP3A4
SCHEMBL21258828 0.74 PTGIR (0.37) —
SCHEMBL21258877 0.73 PTGIR (0.37) DRD3CNR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210338665-A1 MEDICAL USE OF PROSTACYCLIN RECEPTOR AGONIST CHINESE PLA GENERAL HOSPITAL (CN) 2021-11-04 — — US disclosed
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 (2 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
US-20210338665-A1 MEDICAL USE OF PROSTACYCLIN RECEPTOR AGONIST PTGIR, CYP11B2, PDE8A CKS1B 4231/4885SKP1 2107/4885SKP2 4427/4885

“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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