SCHEMBL23523950

SCHEMBL23523950

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccc5[nH]ncc5c4)no3)ccc2O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.51
▸ MAOB P27338 6/20 0.46
▸ ACACB O00763 2/20 0.43
▸ ACACA Q13085 1/20 0.43
▸ AURKA O14965 2/20 0.41
▸ DAPK3 O43293 2/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ PIM1 P11309 2/20 0.41
▸ GSK3A P49840 2/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ CDK5 Q00535 2/20 0.41
▸ ROCK1 Q13464 2/20 0.41
▸ DYRK1A Q13627 2/20 0.41
▸ AURKB Q96GD4 2/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ CHEK2 O96017 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ MARK3 P27448 1/20 0.41
▸ LIMK1 P53667 1/20 0.41
▸ PRKD2 Q9BZL6 1/20 0.41

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
SCHEMBL30355719 1.00 S1PR1 (0.51) S1PR1MAOBACACBACACAAURKA
SCHEMBL20587453 0.86 S1PR1 (0.38) S1PR1MAOBACACBALOX5APS1PR3
SCHEMBL30355748 0.85 S1PR1 (0.38) S1PR1S1PR3
SCHEMBL23524187 0.85 S1PR1 (0.38) S1PR1S1PR3
SCHEMBL30355403 0.83 CNR1 (0.38) S1PR1S1PR3
SCHEMBL23523985 0.83 CNR1 (0.38) S1PR1S1PR3
SCHEMBL23524424 0.83 PSMD11 (0.41) S1PR1S1PR3
SCHEMBL30355665 0.83 PDE3B (0.37) S1PR1CDK2S1PR3
SCHEMBL23523716 0.82 NPC1 (0.43) MAOB
SCHEMBL30355571 0.82 NPC1 (0.43) MAOB

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 S1PR1 1/4885MAOB 3653/4885ACACB 3779/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885MAOB 2715/4885ACACB 1821/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885MAOB 3653/4885ACACB 3779/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885MAOB 3653/4885ACACB 3779/4885

“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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