SCHEMBL23523933

SCHEMBL23523933

CC(C)n1nnc2cc(-c3nc4c(ccc5sccc54)o3)ccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.37
HCAR3 P49019 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
MAPK14 Q16539 1/20 0.31
MAOA P21397 1/20 0.31
ADRA1A P35348 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 1/20 0.30
PIK3CA P42336 2/20 0.30
MTOR P42345 2/20 0.30
RICTOR Q6R327 1/20 0.30
RPTOR Q8N122 1/20 0.30
MAPKAP1 Q9BPZ7 1/20 0.30

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
SCHEMBL30355640 1.00 HPGD (0.37) HPGDHCAR3HCAR2MAPK14MAOA
SCHEMBL23524133 0.78 HPGD (0.41) HPGDHCAR3HCAR2MAPK14KDM4E
SCHEMBL23524027 0.77 HPGD (0.40) HPGDHCAR3HCAR2MAPK14MAOA
SCHEMBL23523842 0.77 HPGD (0.40) HPGDHCAR3HCAR2MAPK14KDM4E
SCHEMBL23524268 0.75 NPC1 (0.43) HPGDHCAR3HCAR2MAPK14KDM4E
SCHEMBL23524093 0.75 ALDH1A1 (0.57) HPGDHCAR3HCAR2KDM4EMEN1
SCHEMBL23558504 0.74 NPC1 (0.49) HPGDHCAR3HCAR2KDM4EMEN1
SCHEMBL23524096 0.73 NPC1 (0.52) HPGDHCAR3HCAR2KDM4EMEN1
SCHEMBL23523725 0.72 ALDH1A1 (0.47) HPGDKDM4EMEN1NPC1ALDH1A1
SCHEMBL20587636 0.72 HPGD (0.38) HPGDHCAR3HCAR2MAPK14KDM4E

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 9 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-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 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
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.