SCHEMBL21258886

SCHEMBL21258886

CC(C)(C)OC(=O)COCC1(F)CCN(c2cncc(N(c3ccccc3)c3ccc(Cl)cc3)n2)CC1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CKS1B P61024 4/20 0.35
▸ SKP1 P63208 4/20 0.35
▸ SKP2 Q13309 4/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ RORC P51449 1/20 0.34
▸ CNR1 P21554 3/20 0.33
▸ CNR2 P34972 1/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TPH1 P17752 1/20 0.30
▸ USP30 Q70CQ3 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 0.95 CKS1B (0.38) CKS1BSKP1SKP2CYP11B2SCN9A
SCHEMBL22781926 0.93 MEN1 (0.35) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL21258722 0.92 CKS1B (0.35) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL21258997 0.92 ALDH1A1 (0.34) MEN1KMT2ACKS1BSKP1SKP2
SCHEMBL21258681 0.91 CKS1B (0.34) CKS1BSKP1SKP2CYP11B2CYP3A4
SCHEMBL21258972 0.90 CHRM4 (0.34) CKS1BSKP1SKP2CYP11B2
SCHEMBL21258721 0.89 GRM5 (0.34) CKS1BSKP1SKP2CYP11B2RORC
SCHEMBL21258691 0.89 CKS1B (0.33) CKS1BSKP1SKP2CYP11B2CYP3A4
SCHEMBL21258877 0.89 PTGIR (0.37) CNR1
SCHEMBL21258967 0.89 CKS1B (0.34) CKS1BSKP1SKP2CYP11B2USP30

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 MEN1 2717/4885KMT2A 3901/4885CKS1B 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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