SCHEMBL19097280

SCHEMBL19097280

COC(=O)[C@H]1CC(CC(=O)O)CN1C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.40
MMP2 P08253 3/20 0.38
ANPEP P15144 2/20 0.38
NR1H3 Q13133 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPN1 P18031 1/20 0.38
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
P2RX3 P56373 1/20 0.35
HTRA1 Q92743 1/20 0.35
HSD17B10 Q99714 1/20 0.34
TGM2 P21980 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ALDH1A1 P00352 1/20 0.33
UCHL1 P09936 1/20 0.33
PDE4B Q07343 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
SCHEMBL6184330 1.00 NR1H2 (0.40) NR1H2MMP2ANPEPNR1H3SMN1; SMN2
SCHEMBL9601879 1.00 NR1H2 (0.40) NR1H2MMP2ANPEPNR1H3SMN1; SMN2
SCHEMBL17317642 1.00 NR1H2 (0.40) NR1H2MMP2ANPEPNR1H3SMN1; SMN2
SCHEMBL29851070 0.89 NR1H2 (0.40) NR1H2MMP2ANPEPNR1H3SMN1; SMN2
SCHEMBL6185885 0.89 NR1H2 (0.40) NR1H2MMP2ANPEPNR1H3SMN1; SMN2
SCHEMBL31000687 0.89 NR1H2 (0.40) NR1H2MMP2ANPEPNR1H3SMN1; SMN2
SCHEMBL2708302 0.86 NR1H2 (0.51) NR1H2MMP2ANPEPNR1H3SMN1; SMN2
SCHEMBL18829250 0.86 NR1H2 (0.51) NR1H2MMP2ANPEPNR1H3SMN1; SMN2
SCHEMBL15815897 0.86 NR1H2 (0.41) NR1H2MMP2ANPEPNR1H3SMN1; SMN2
SCHEMBL2708360 0.86 NR1H2 (0.41) NR1H2MMP2ANPEPNR1H3SMN1; SMN2

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-10144732-B2 ATX modulating agents BIOGEN MA INC. (US) 2018-12-04 US disclosed
US-20170197960-A1 ATX MODULATING AGENTS BIOGEN MA INC. 2017-07-13 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 (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-20170197960-A1 ATX MODULATING AGENTS ENPP2, ATXN10, ATXN2 NR1H2 1523/4885MMP2 1004/4885ANPEP 1858/4885
US-10144732-B2 ATX modulating agents ENPP2, ATXN10, ATXN2 NR1H2 1524/4885MMP2 1003/4885ANPEP 1859/4885

“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.