SCHEMBL23558447

SCHEMBL23558447

CC(O)n1nnc2cc(-c3nc(-c4ccccc4O)co3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
ENPP3 O14638 3/20 0.36
ENPP1 P22413 2/20 0.36
KCNMA1 Q12791 2/20 0.35
HCAR3 P49019 2/20 0.34
HPGD P15428 2/20 0.34
HCAR2 Q8TDS4 1/20 0.34
PIK3R1 P27986 1/20 0.34
PIK3CA P42336 1/20 0.34
PDE4B Q07343 1/20 0.33
GUSB P08236 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RECQL P46063 1/20 0.32
TDO2 P48775 2/20 0.31
NPC1 O15118 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
SCHEMBL25862898 0.93 HCAR3 (0.42) HSD17B1HSD17B2ENPP3ENPP1KCNMA1
SCHEMBL23558259 0.83 CASP3 (0.47) KCNMA1HCAR3HPGDHCAR2MEN1
SCHEMBL30355461 0.82 ENPP3 (0.47) HSD17B1HSD17B2ENPP3ENPP1HCAR3
SCHEMBL23524018 0.82 ENPP3 (0.47) HSD17B1HSD17B2ENPP3ENPP1HCAR3
SCHEMBL30355543 0.81 HPGD (0.39) HSD17B1HSD17B2ENPP3ENPP1HCAR3
SCHEMBL30355828 0.81 HPGD (0.39) HSD17B1HSD17B2ENPP3ENPP1HCAR3
SCHEMBL23524141 0.81 HPGD (0.39) HSD17B1HSD17B2ENPP3ENPP1HCAR3
SCHEMBL23524066 0.81 HPGD (0.39) HSD17B1HSD17B2ENPP3ENPP1HCAR3
SCHEMBL23523960 0.81 HPGD (0.39) HSD17B1HSD17B2ENPP3ENPP1HCAR3
SCHEMBL27100035 0.81 HPGD (0.39) HSD17B1HSD17B2ENPP3ENPP1HCAR3

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-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 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-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 HSD17B1 2149/4885HSD17B2 2368/4885ENPP3 528/4885

“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.