SCHEMBL23524187

SCHEMBL23524187

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccc5[nH]c(=O)[nH]c5c4)no3)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 6/20 0.38
▸ MAPT P10636 5/20 0.37
▸ S1PR3 Q99500 1/20 0.36
▸ TP53 P04637 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ CPT2 P23786 1/20 0.35
▸ CPT1A P50416 1/20 0.35
▸ CPT1B Q92523 1/20 0.35
▸ PIK3CD O00329 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ HSD17B10 Q99714 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ PTPN7 P35236 2/20 0.34
▸ BLM P54132 2/20 0.34
▸ WRN Q14191 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL30355748 1.00 S1PR1 (0.38) S1PR1MAPTS1PR3TP53CNR1
SCHEMBL30355665 0.86 PDE3B (0.37) S1PR1MAPTS1PR3TP53CNR1
SCHEMBL23524057 0.86 PDE3B (0.37) S1PR1MAPTS1PR3TP53CNR1
SCHEMBL30355719 0.85 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL23523950 0.85 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL23524424 0.84 PSMD11 (0.41) S1PR1S1PR3CNR1CNR2SMN1; SMN2
SCHEMBL23523716 0.84 NPC1 (0.43) MAPTTP53GAAPOLBKMT2A
SCHEMBL30355571 0.84 NPC1 (0.43) MAPTTP53GAAPOLBKMT2A
SCHEMBL20587453 0.83 S1PR1 (0.38) S1PR1MAPTS1PR3CNR1CNR2
SCHEMBL23524275 0.83 S1PR1 (0.47) S1PR1MAPTS1PR3HSD17B10GAA

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 8 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

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 S1PR1 1/4885MAPT 3799/4885S1PR3 3/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885MAPT 1551/4885S1PR3 3/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885MAPT 3799/4885S1PR3 3/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885MAPT 3799/4885S1PR3 3/4885

“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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