SCHEMBL23523960

SCHEMBL23523960

CC(C)n1nnc2cc(-c3nc(-c4ccccc4F)co3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.39
HCAR3 P49019 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
MAPK14 Q16539 1/20 0.39
PRKD3 O94806 1/20 0.38
MAP4K4 O95819 1/20 0.38
FGFR1 P11362 1/20 0.38
MAPK9 P45984 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CSNK1G2 P78368 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
AURKB Q96GD4 1/20 0.38
PRKD2 Q9BZL6 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38
MMP13 P45452 3/20 0.37
CNR2 P34972 1/20 0.36
ENPP3 O14638 2/20 0.36

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
SCHEMBL30355543 1.00 HPGD (0.39) HPGDHCAR3HCAR2MAPK14PRKD3
SCHEMBL25862898 0.88 HCAR3 (0.42) HPGDHCAR3HCAR2MAPK14PRKD3
SCHEMBL30355461 0.88 ENPP3 (0.47) HPGDHCAR3HCAR2MAPK14PRKD3
SCHEMBL23524018 0.88 ENPP3 (0.47) HPGDHCAR3HCAR2MAPK14PRKD3
SCHEMBL23524141 0.87 HPGD (0.39) HPGDHCAR3HCAR2MAPK14PRKD3
SCHEMBL23524066 0.87 HPGD (0.39) HPGDHCAR3HCAR2MAPK14PRKD3
SCHEMBL30355828 0.87 HPGD (0.39) HPGDHCAR3HCAR2MAPK14PRKD3
SCHEMBL27100035 0.87 HPGD (0.39) HPGDHCAR3HCAR2MAPK14PRKD3
SCHEMBL30355427 0.87 TRPA1 (0.39) HPGDHCAR3HCAR2MAPK14PRKD3
SCHEMBL23523953 0.87 TRPA1 (0.39) HPGDHCAR3HCAR2MAPK14PRKD3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME TREVENA, INC. 2023-04-13 US disclosed
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 (4 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 HPGD 3374/4885HCAR3 291/4885HCAR2 286/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 HPGD 2590/4885HCAR3 203/4885HCAR2 80/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 HPGD 3374/4885HCAR3 291/4885HCAR2 286/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 HPGD 3374/4885HCAR3 291/4885HCAR2 286/4885

“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.