SCHEMBL23524412

SCHEMBL23524412

CC(C)Nc1ccc(-c2nc(-c3ccc4c(c3)NC(=O)CC4)no2)cc1C#N

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 19/20 0.48
▸ S1PR3 Q99500 8/20 0.47
▸ KCNH2 Q12809 3/20 0.44
▸ POLB P06746 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
SCHEMBL30355574 1.00 S1PR1 (0.48) S1PR1S1PR3KCNH2POLB
SCHEMBL23524432 0.94 S1PR1 (0.47) S1PR1S1PR3KCNH2POLB
SCHEMBL30355371 0.93 S1PR1 (0.55) S1PR1S1PR3KCNH2POLB
SCHEMBL23523742 0.93 S1PR1 (0.55) S1PR1S1PR3KCNH2POLB
SCHEMBL25857083 0.89 S1PR1 (0.48) S1PR1S1PR3KCNH2POLB
SCHEMBL23523860 0.87 S1PR1 (0.46) S1PR1S1PR3KCNH2POLB
SCHEMBL30355761 0.83 S1PR1 (0.44) S1PR1S1PR3KCNH2POLB
SCHEMBL23524098 0.83 S1PR1 (0.44) S1PR1S1PR3KCNH2POLB
SCHEMBL2122311 0.82 S1PR1 (0.70) S1PR1S1PR3KCNH2POLB
SCHEMBL23524086 0.82 S1PR1 (0.51) S1PR1S1PR3KCNH2POLB

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 8 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-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
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 1/4885S1PR3 3/4885KCNH2 2306/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885KCNH2 312/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885KCNH2 2306/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885S1PR3 3/4885KCNH2 2306/4885

“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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