SCHEMBL30355402

SCHEMBL30355402

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccnc(NS(C)(=O)=O)c4)no3)ccc2O1

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 13/20 0.39
▸ S1PR1 P21453 5/20 0.38
▸ ADRA1D P25100 1/20 0.36
▸ S1PR3 Q99500 1/20 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
SCHEMBL23524446 1.00 GSK3B (0.39) GSK3BS1PR1ADRA1DS1PR3
SCHEMBL30355466 0.87 KCNH2 (0.40) ADRA1D
SCHEMBL23524045 0.87 KCNH2 (0.40) ADRA1D
SCHEMBL23524078 0.86 S1PR1 (0.42) GSK3BS1PR1S1PR3
SCHEMBL30355832 0.86 S1PR1 (0.42) GSK3BS1PR1S1PR3
SCHEMBL25856458 0.85 TDP2 (0.41) ADRA1D
SCHEMBL23524275 0.85 S1PR1 (0.47) S1PR1S1PR3
SCHEMBL30355798 0.85 S1PR1 (0.47) S1PR1S1PR3
SCHEMBL30355754 0.84 S1PR1 (0.42) S1PR1S1PR3
SCHEMBL23524266 0.84 S1PR1 (0.42) S1PR1S1PR3

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 3 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 GSK3B 2521/4885S1PR1 1/4885ADRA1D 81/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 GSK3B 1281/4885S1PR1 1/4885ADRA1D 696/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 GSK3B 2521/4885S1PR1 1/4885ADRA1D 81/4885

“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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