SCHEMBL21258878

SCHEMBL21258878

CC(C)(C)OC(=O)COCC1(F)CCN(c2cncc(Cl)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HTR2A P28223 1/20 0.38
▸ HTR2C P28335 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ CYP11B2 P19099 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.34
▸ CKS1B P61024 4/20 0.33
▸ SKP1 P63208 4/20 0.33
▸ SKP2 Q13309 4/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ VNN1 O95497 1/20 0.33

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 0.82 CKS1B (0.38) KDM4ECYP11B2GPR119CKS1BSKP1
SCHEMBL21259004 0.82 CKS1B (0.39) CYP11B2GPR119CKS1BSKP1SKP2
SCHEMBL21258886 0.82 MEN1 (0.35) MEN1CYP3A4KMT2ACYP11B2CKS1B
SCHEMBL21258934 0.81 CKS1B (0.37) CYP11B2GPR119CKS1BSKP1SKP2
SCHEMBL21259011 0.80 CKS1B (0.38) CYP11B2GPR119CKS1BSKP1SKP2
SCHEMBL21258919 0.79 CKS1B (0.42) KDM4EMEN1ALDH1A1CYP1A2CYP3A4
SCHEMBL21258722 0.79 CKS1B (0.35) KDM4EMEN1KMT2ACYP11B2CKS1B
SCHEMBL22781926 0.79 MEN1 (0.35) MEN1KMT2ACYP11B2CKS1BSKP1
SCHEMBL21258681 0.77 CKS1B (0.34) ALDH1A1CYP3A4CYP2C9HPGDHSD17B10
SCHEMBL1432444 0.74 CKS1B (0.56) KDM4EMEN1ALDH1A1CYP1A2CYP3A4

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 5 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
WO-2021023271-A1 CRYSTAL FORM OF COMPOUND AS PROSTACYCLIN RECEPTOR AGONIST AND PREPARATION METHOD THEREFOR 南京明德新药研发有限公司 2021-02-11 — — WO 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 KDM4E 4782/4885MEN1 2717/4885ALDH1A1 987/4885
US-20210338665-A1 MEDICAL USE OF PROSTACYCLIN RECEPTOR AGONIST PTGIR, CYP11B2, PDE8A KDM4E 4473/4885MEN1 3411/4885ALDH1A1 1643/4885

“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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