SCHEMBL30355492

SCHEMBL30355492

CCC1(CC)CC(=O)c2cc(-c3nc(-c4cncc(NS(C)(=O)=O)c4)no3)ccc2O1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 4/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ S1PR3 Q99500 1/20 0.36
▸ ADRA1D P25100 1/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ DGAT1 O75907 1/20 0.34
▸ DYRK1A Q13627 2/20 0.33
▸ PIP4K2A P48426 1/20 0.33
▸ PIP4K2B P78356 1/20 0.33

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
SCHEMBL23523882 1.00 S1PR1 (0.36) S1PR1KCNH2S1PR3ADRA1DPIK3CB
SCHEMBL30355466 0.90 KCNH2 (0.40) KCNH2ADRA1DDGAT1
SCHEMBL23524045 0.90 KCNH2 (0.40) KCNH2ADRA1DDGAT1
SCHEMBL25856458 0.89 TDP2 (0.41) KCNH2ADRA1D
SCHEMBL30355550 0.86 TP53 (0.44) S1PR1KCNH2S1PR3DYRK1A
SCHEMBL23523927 0.86 TP53 (0.44) S1PR1KCNH2S1PR3DYRK1A
SCHEMBL23524283 0.85 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL30355746 0.85 S1PR1 (0.51) S1PR1S1PR3
SCHEMBL25865623 0.84 S1PR1 (0.39) S1PR1S1PR3
SCHEMBL23523985 0.84 CNR1 (0.38) 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 S1PR1 1/4885KCNH2 2306/4885S1PR3 3/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885KCNH2 312/4885S1PR3 3/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885KCNH2 2306/4885S1PR3 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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