SCHEMBL30355408

SCHEMBL30355408

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccncc4C(F)(F)F)no3)ccc2O1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 19/20 0.49
▸ S1PR3 Q99500 6/20 0.46
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ S1PR5 Q9H228 2/20 0.34

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
SCHEMBL23524400 1.00 S1PR1 (0.49) S1PR1S1PR3CNR1CNR2S1PR5
SCHEMBL23523737 0.93 S1PR1 (0.47) S1PR1S1PR3CNR1CNR2S1PR5
SCHEMBL30355666 0.93 S1PR1 (0.47) S1PR1S1PR3CNR1CNR2S1PR5
SCHEMBL30355534 0.88 S1PR1 (0.41) S1PR1S1PR3CNR1CNR2
SCHEMBL23524434 0.88 S1PR1 (0.41) S1PR1S1PR3CNR1CNR2
SCHEMBL23524202 0.88 S1PR1 (0.41) S1PR1S1PR3CNR1CNR2
SCHEMBL30355766 0.87 S1PR1 (0.53) S1PR1S1PR3CNR1CNR2
SCHEMBL23524301 0.87 S1PR1 (0.53) S1PR1S1PR3CNR1CNR2
SCHEMBL23523749 0.86 S1PR1 (0.44) S1PR1S1PR3
SCHEMBL30355606 0.86 S1PR1 (0.44) 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 1/4885S1PR3 3/4885CNR1 20/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885CNR1 10/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885CNR1 20/4885

“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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