SCHEMBL26761827

SCHEMBL26761827

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.44
▸ PTGES O14684 5/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ GAA P10253 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ ALPG P10696 1/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.42
▸ SMPD3 Q9NY59 2/20 0.42
▸ SERPINH1 P50454 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ HCRTR1 O43613 1/20 0.42

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
SCHEMBL24277485 0.94 PTGES (0.47) MAPTPTGESALDH1A1HSD17B10ALOX15
SCHEMBL26761824 0.79 MEN1 (0.68) MAPTPTGESALDH1A1HSD17B10ALOX15
SCHEMBL24277923 0.75 SMPD3 (0.45) MAPTALDH1A1HSD17B10GAAPOLB
SCHEMBL24277568 0.73 MEN1 (0.73) MAPTPTGESALDH1A1HSD17B10ALOX15
SCHEMBL26293013 0.68 NPSR1 (0.65) MAPTPTGESALDH1A1HSD17B10GAA
SCHEMBL26294556 0.65 MEN1 (0.73) MAPTPTGESALDH1A1GAAPOLB
SCHEMBL19398376 0.64 PKM (0.50) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL15044147 0.64 PKM (0.50) MAPTALDH1A1GAANPC1RAB9A
SCHEMBL19398373 0.62 PKM (0.47) ALDH1A1GAAPOLBALPGMEN1
SCHEMBL31582401 0.60 POLB (0.47) MAPTALDH1A1HSD17B10POLBNPC1

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 1 patent. 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

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 MAPT 4372/4885PTGES 1438/4885ALDH1A1 3754/4885

“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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