SCHEMBL21259010

SCHEMBL21259010

COC(c1ccccc1)(c1ccccc1)c1cncc(N2CCC(F)(CO)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 5/20 0.33
▸ DAGLA Q9Y4D2 1/20 0.33
▸ LRRK2 Q5S007 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ SORD Q00796 2/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ DRD3 P35462 1/20 0.31
▸ TARDBP Q13148 1/20 0.31
▸ SCD O00767 1/20 0.31
▸ CYP11B2 P19099 2/20 0.31
▸ CKS1B P61024 1/20 0.30
▸ SKP1 P63208 1/20 0.30
▸ SKP2 Q13309 1/20 0.30
▸ CYP11B1 P15538 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
SCHEMBL21259003 0.85 PTPN11 (0.36) PTPN11DAGLALRRK2SMN1; SMN2SORD
SCHEMBL21258690 0.85 CKS1B (0.33) PTPN11DAGLAALDH1A1HPGDSMN1; SMN2
SCHEMBL21259011 0.82 CKS1B (0.38) PTPN11DAGLACYP11B2CKS1BSKP1
SCHEMBL21258881 0.73 VNN1 (0.33) PTPN11LRRK2SORDTARDBP
SCHEMBL21258920 0.72 PTPN11 (0.34) PTPN11DAGLAALDH1A1HPGDSMN1; SMN2
SCHEMBL21258931 0.72 PTPN11 (0.33) PTPN11LRRK2SORDTARDBP
SCHEMBL21259004 0.70 CKS1B (0.39) PTPN11CYP11B2CKS1BSKP1SKP2
SCHEMBL21258879 0.70 KDM4E (0.53) PTPN11LRRK2ALDH1A1HPGDHSD17B10
SCHEMBL23135163 0.69 TARDBP (0.37) PTPN11ALDH1A1DRD2DRD3TARDBP
SCHEMBL21259009 0.66 CYP19A1 (0.45) DRD2

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 2 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
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 2006/4885DAGLA 1779/4885LRRK2 3843/4885

“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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