SCHEMBL23523884

SCHEMBL23523884

CC(C)Nc1ccc(-c2nc(-c3ccc4sc(N)nc4c3)no2)cc1C#N

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ S1PR1 P21453 15/20 0.39
▸ S1PR3 Q99500 8/20 0.38
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ KCNH2 Q12809 3/20 0.36
▸ FTO Q9C0B1 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ S1PR2 O95136 2/20 0.35
▸ S1PR4 O95977 2/20 0.35
▸ S1PR5 Q9H228 2/20 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
SCHEMBL30355813 1.00 POLB (0.41) POLBS1PR1S1PR3PIK3CDPIK3CA
SCHEMBL23558484 0.82 POLB (0.44) POLBS1PR1S1PR3PIK3CDPIK3CA
SCHEMBL30355750 0.82 PIK3CD (0.35) S1PR1S1PR3PIK3CDPIK3CAPIK3CB
SCHEMBL23523813 0.82 PIK3CD (0.35) S1PR1S1PR3PIK3CDPIK3CAPIK3CB
SCHEMBL23523975 0.82 POLB (0.44) POLBS1PR1S1PR3KCNH2RXFP1
SCHEMBL30355506 0.82 POLB (0.44) POLBS1PR1S1PR3KCNH2RXFP1
SCHEMBL30355729 0.81 S1PR1 (0.38) POLBS1PR1S1PR3PIK3CDPIK3CA
SCHEMBL23524192 0.81 S1PR1 (0.38) POLBS1PR1S1PR3PIK3CDPIK3CA
SCHEMBL23524431 0.74 MAPT (0.45) POLBS1PR1S1PR3KCNH2RXFP1
SCHEMBL2122311 0.74 S1PR1 (0.70) POLBS1PR1S1PR3KCNH2

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 6 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-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

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 POLB 4432/4885S1PR1 1/4885S1PR3 3/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 POLB 4750/4885S1PR1 1/4885S1PR3 3/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 POLB 4432/4885S1PR1 1/4885S1PR3 3/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 POLB 4432/4885S1PR1 1/4885S1PR3 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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