SCHEMBL21258981

SCHEMBL21258981

CC(C)(C)OC(=O)COCC1(F)CCN(c2cncc(N(c3cccc(F)c3)c3ccccn3)n2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.34
▸ HSD17B10 Q99714 5/20 0.34
▸ CYP3A4 P08684 5/20 0.34
▸ CYP2D6 P10635 4/20 0.34
▸ HPGD P15428 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ TSHR P16473 3/20 0.34
▸ PTGIR P43119 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ CKS1B P61024 1/20 0.31
▸ SKP1 P63208 1/20 0.31
▸ SKP2 Q13309 1/20 0.31
▸ USP1 O94782 1/20 0.31
▸ CCNT1 O60563 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC8 Q9BY41 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
SCHEMBL21258982 0.94 ALDH1A1 (0.33) ALDH1A1HSD17B10CYP3A4CYP2D6HPGD
SCHEMBL21259000 0.93 CKS1B (0.36) ALDH1A1HSD17B10CYP3A4CYP2D6HPGD
SCHEMBL21258960 0.93 HTR1A (0.35) ALDH1A1HSD17B10CYP3A4CYP2D6HPGD
SCHEMBL21258967 0.93 CKS1B (0.34) PTGIRCYP11B2CKS1BSKP1SKP2
SCHEMBL21258710 0.92 ALDH1A1 (0.33) ALDH1A1HSD17B10CYP3A4CYP2D6HPGD
SCHEMBL21258963 0.90 PTGIR (0.42) ALDH1A1HSD17B10CYP3A4CYP2D6HPGD
SCHEMBL21258997 0.89 ALDH1A1 (0.34) ALDH1A1HSD17B10CYP3A4CYP2D6HPGD
SCHEMBL21258717 0.88 HSD17B10 (0.37) ALDH1A1HSD17B10CYP3A4CYP2D6HPGD
SCHEMBL21258998 0.88 CKS1B (0.35) PTGIRCYP11B2CKS1BSKP1SKP2
SCHEMBL21258939 0.86 CKS1B (0.38) TSHRGPR119CYP11B2CKS1BSKP1

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 ALDH1A1 987/4885HSD17B10 648/4885CYP3A4 1351/4885

“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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