SCHEMBL4871828

SCHEMBL4871828

C[C@H]1OC(C)(C)O[C@@H]1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SUCNR1 Q9BXA5 1/20 0.38
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.31
APLNR P35414 1/20 0.31
PGD P52209 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
SCHEMBL2032406 1.00 SUCNR1 (0.38) SUCNR1MAPK1NPSR1KDM4EALDH1A1
SCHEMBL4243891 1.00 SUCNR1 (0.38) SUCNR1MAPK1NPSR1KDM4EALDH1A1
SCHEMBL14527074 1.00 SUCNR1 (0.38) SUCNR1MAPK1NPSR1KDM4EALDH1A1
SCHEMBL15325118 1.00 SUCNR1 (0.38) SUCNR1MAPK1NPSR1KDM4EALDH1A1
SCHEMBL27159744 0.85 SUCNR1 (0.45) SUCNR1MAPK1NPSR1KDM4EALDH1A1
SCHEMBL1595064 0.85 SUCNR1 (0.45) SUCNR1MAPK1NPSR1KDM4EALDH1A1
SCHEMBL1727954 0.85 SUCNR1 (0.45) SUCNR1MAPK1NPSR1KDM4EALDH1A1
SCHEMBL1595065 0.85 SUCNR1 (0.45) SUCNR1MAPK1NPSR1KDM4EALDH1A1
SCHEMBL10473227 0.85 SUCNR1 (0.45) SUCNR1MAPK1NPSR1KDM4EALDH1A1
SCHEMBL14944924 0.81 MAPK1 (0.37) MAPK1NPSR1GAAPGD

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
CN-107278203-B 4, 6-substituted pyrazolo [1,5-a ] pyrazines as JANUS kinase inhibitors 阵列生物制药公司 2020-05-19 CN disclosed
US-20080242644-A1 Factor Viia Inhibitor PHARMACYCLICS, INC. (US) 2008-10-02 US 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-20080242644-A1 Factor Viia Inhibitor F7, F9, F5 SUCNR1 4641/4885MAPK1 2977/4885NPSR1 4652/4885

“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.