SCHEMBL24277485

SCHEMBL24277485

COc1cc(C(=O)CSc2nnc(-c3cccs3)c(-c3cccs3)n2)cc(OC)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 5/20 0.47
▸ SMPD3 Q9NY59 2/20 0.45
▸ MAPT P10636 6/20 0.45
▸ NPSR1 Q6W5P4 2/20 0.45
▸ TSHR P16473 1/20 0.45
▸ RPS6KB2 Q9UBS0 2/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ GAA P10253 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ APEX1 P27695 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ MCL1 Q07820 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL26761827 0.94 MAPT (0.44) PTGESSMPD3MAPTNPSR1TSHR
SCHEMBL24277923 0.80 SMPD3 (0.45) SMPD3MAPTNPSR1RPS6KB2ALDH1A1
SCHEMBL24277568 0.78 MEN1 (0.73) PTGESMAPTNPSR1TSHRALDH1A1
SCHEMBL26764240 0.76 MEN1 (0.48) PTGESMAPTNPSR1TSHRALDH1A1
SCHEMBL26761824 0.73 MEN1 (0.68) PTGESMAPTNPSR1TSHRALDH1A1
SCHEMBL26293013 0.70 NPSR1 (0.65) PTGESMAPTNPSR1TSHRALDH1A1
SCHEMBL26294556 0.68 MEN1 (0.73) PTGESMAPTTSHRALDH1A1GAA
SCHEMBL26293182 0.65 MEN1 (0.82) PTGESMAPTALDH1A1GAAPOLB
SCHEMBL31582401 0.62 POLB (0.47) MAPTALDH1A1HSD17B10POLBKDM4E
SCHEMBL12106316 0.62 SMPD3 (1.00) SMPD3MAPTNPSR1ALDH1A1HSD17B10

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-20230365540-A1 SMALL MOLECULE INHIBITORS OF ENPP1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-16 — — US disclosed
US-20230365540-A1 SMALL MOLECULE INHIBITORS OF ENPP1 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-11-16 — — US disclosed
WO-2022056068-A1 SMALL MOLECULE INHIBITORS OF ENPP1 THE REGENTS OF THE UNIVERSITY OFCALIFORNIA (US) 2022-03-17 — — 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-20230365540-A1 SMALL MOLECULE INHIBITORS OF ENPP1 ENPP1, ENPP2, ENPP3 PTGES 1438/4885SMPD3 90/4885MAPT 4372/4885

“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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