SCHEMBL23524102

SCHEMBL23524102

N#Cc1cc(-c2nc(-c3ccc4c(c3)CCC(=O)N4)no2)ccc1NCC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.41
▸ S1PR1 P21453 18/20 0.41
▸ KIF11 P52732 1/20 0.41
▸ S1PR3 Q99500 7/20 0.39
▸ KCNH2 Q12809 2/20 0.38
▸ S1PR4 O95977 1/20 0.37
▸ S1PR5 Q9H228 1/20 0.37

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
SCHEMBL30355475 1.00 SYK (0.41) SYKS1PR1KIF11S1PR3KCNH2
SCHEMBL25865317 0.93 S1PR1 (0.41) S1PR1KIF11S1PR3KCNH2S1PR4
SCHEMBL23524189 0.93 S1PR1 (0.41) S1PR1KIF11S1PR3KCNH2
SCHEMBL23524408 0.89 S1PR1 (0.40) S1PR1KIF11S1PR3KCNH2
SCHEMBL23524103 0.88 S1PR1 (0.42) S1PR1KIF11S1PR3KCNH2
SCHEMBL23523994 0.87 S1PR1 (0.39) S1PR1KIF11S1PR3KCNH2
SCHEMBL23523910 0.86 S1PR1 (0.44) S1PR1S1PR3KCNH2
SCHEMBL23524255 0.86 S1PR1 (0.40) S1PR1S1PR3KCNH2
SCHEMBL23524125 0.86 S1PR1 (0.40) S1PR1S1PR3KCNH2
SCHEMBL23524432 0.83 S1PR1 (0.47) S1PR1S1PR3KCNH2

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 SYK 661/4885S1PR1 1/4885KIF11 1532/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 SYK 2363/4885S1PR1 1/4885KIF11 1013/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 SYK 661/4885S1PR1 1/4885KIF11 1532/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 SYK 661/4885S1PR1 1/4885KIF11 1532/4885

“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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