SCHEMBL30355587

SCHEMBL30355587

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccc(S(N)(=O)=O)cc4)no3)ccc2O1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 14/20 0.50
▸ CA2 P00918 13/20 0.50
▸ CA12 O43570 8/20 0.50
▸ CA1 P00915 8/20 0.50
▸ S1PR1 P21453 6/20 0.48

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
SCHEMBL23524295 1.00 CA9 (0.50) CA9CA2CA12CA1S1PR1
SCHEMBL23523937 0.90 CA9 (0.45) CA9CA2CA12CA1S1PR1
SCHEMBL30355643 0.90 CA9 (0.45) CA9CA2CA12CA1S1PR1
SCHEMBL30355448 0.89 HDAC4 (0.43) CA9CA2CA12CA1S1PR1
SCHEMBL23524153 0.89 HDAC4 (0.43) CA9CA2CA12CA1S1PR1
SCHEMBL30355393 0.89 CA2 (0.37) CA9CA2CA12CA1S1PR1
SCHEMBL23524366 0.89 CA2 (0.37) CA9CA2CA12CA1S1PR1
SCHEMBL23523721 0.88 NPC1 (0.38) S1PR1
SCHEMBL23523716 0.87 NPC1 (0.43) —
SCHEMBL30355571 0.87 NPC1 (0.43) —

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 CA9 4628/4885CA2 3359/4885CA12 4698/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 CA9 3668/4885CA2 825/4885CA12 2815/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CA9 4628/4885CA2 3359/4885CA12 4698/4885

“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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