SCHEMBL23558484

SCHEMBL23558484

CC(C)Nc1ccc(-c2nc(-c3ccc4oc(N)nc4c3)no2)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ S1PR1 P21453 12/20 0.40
▸ MTOR P42345 2/20 0.39
▸ S1PR3 Q99500 6/20 0.39
▸ PIK3CA P42336 5/20 0.39
▸ PIK3CD O00329 1/20 0.37
▸ PIK3CB P42338 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ KCNH2 Q12809 3/20 0.37
▸ RICTOR Q6R327 1/20 0.37
▸ RPTOR Q8N122 1/20 0.37
▸ MAPKAP1 Q9BPZ7 1/20 0.37
▸ MLST8 Q9BVC4 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ S1PR2 O95136 1/20 0.36
▸ S1PR4 O95977 1/20 0.36
▸ S1PR5 Q9H228 1/20 0.36

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
SCHEMBL30355506 0.83 POLB (0.44) POLBS1PR1S1PR3KCNH2RXFP1
SCHEMBL23523975 0.83 POLB (0.44) POLBS1PR1S1PR3KCNH2RXFP1
SCHEMBL23523884 0.82 POLB (0.41) POLBS1PR1S1PR3PIK3CAPIK3CD
SCHEMBL30355813 0.82 POLB (0.41) POLBS1PR1S1PR3PIK3CAPIK3CD
SCHEMBL23558165 0.82 S1PR1 (0.40) POLBS1PR1MTORPIK3CAPIK3CD
SCHEMBL30355795 0.80 MAPT (0.43) POLBS1PR1S1PR3KCNH2RXFP1
SCHEMBL23524284 0.80 MAPT (0.43) POLBS1PR1S1PR3KCNH2RXFP1
SCHEMBL23524431 0.76 MAPT (0.45) POLBS1PR1S1PR3KCNH2RXFP1
SCHEMBL2122311 0.75 S1PR1 (0.70) POLBS1PR1S1PR3KCNH2
SCHEMBL23523913 0.75 MAPT (0.51) POLBS1PR1S1PR3RXFP1S1PR5

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-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-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 (2 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 1/4885MTOR 2850/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 POLB 4432/4885S1PR1 1/4885MTOR 2850/4885

“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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