SCHEMBL30355754

SCHEMBL30355754

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccnc(S(N)(=O)=O)c4)no3)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 15/20 0.42
▸ S1PR3 Q99500 5/20 0.39
▸ CA2 P00918 5/20 0.37
▸ CA9 Q16790 5/20 0.37
▸ CA12 O43570 3/20 0.37
▸ CA1 P00915 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL23524266 1.00 S1PR1 (0.42) S1PR1S1PR3CA2CA9CA12
SCHEMBL23524315 0.87 S1PR1 (0.53) S1PR1S1PR3ALDH1A1HPGDHSD17B10
SCHEMBL30355684 0.87 S1PR1 (0.53) S1PR1S1PR3ALDH1A1HPGDHSD17B10
SCHEMBL30355587 0.86 CA9 (0.50) S1PR1CA2CA9CA12CA1
SCHEMBL23524275 0.86 S1PR1 (0.47) S1PR1S1PR3ALDH1A1HPGDHSD17B10
SCHEMBL30355798 0.86 S1PR1 (0.47) S1PR1S1PR3ALDH1A1HPGDHSD17B10
SCHEMBL23524295 0.86 CA9 (0.50) S1PR1CA2CA9CA12CA1
SCHEMBL23524282 0.85 S1PR1 (0.43) S1PR1S1PR3ALDH1A1HPGDHSD17B10
SCHEMBL23524219 0.85 S1PR1 (0.47) S1PR1S1PR3ALDH1A1HPGDHSD17B10
SCHEMBL30355667 0.85 S1PR1 (0.47) S1PR1S1PR3ALDH1A1HPGDHSD17B10

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 1/4885S1PR3 3/4885CA2 3359/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885CA2 825/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885CA2 3359/4885

“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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