SCHEMBL23558165

SCHEMBL23558165

N#Cc1cc(-c2nc(-c3ccc4oc(N)nc4c3)no2)ccc1NCC1CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 8/20 0.40
▸ FAAH O00519 1/20 0.38
▸ PIK3CA P42336 8/20 0.37
▸ PIK3CD O00329 3/20 0.37
▸ PIK3CB P42338 3/20 0.37
▸ PIK3CG P48736 3/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ MAPT P10636 1/20 0.36
▸ MTOR P42345 2/20 0.35
▸ PRKDC P78527 2/20 0.35
▸ DDR1 Q08345 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
SCHEMBL23084685 0.85 S1PR1 (0.40) S1PR1TP53POLBMAPT
SCHEMBL23524192 0.84 S1PR1 (0.38) S1PR1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL30355729 0.84 S1PR1 (0.38) S1PR1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL23558484 0.82 POLB (0.44) S1PR1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL30355700 0.81 TBK1 (0.45) S1PR1TP53POLBMAPT
SCHEMBL23524334 0.81 TBK1 (0.45) S1PR1TP53POLBMAPT
SCHEMBL23524308 0.79 S1PR1 (0.41) S1PR1TP53POLBMAPT
SCHEMBL23524032 0.79 S1PR1 (0.42) S1PR1TP53POLBMAPT
SCHEMBL23524160 0.78 S1PR1 (0.39) S1PR1TP53POLBMAPT
SCHEMBL30355639 0.78 S1PR1 (0.39) S1PR1TP53POLBMAPT

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 S1PR1 1/4885FAAH 430/4885PIK3CA 916/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 S1PR1 1/4885FAAH 430/4885PIK3CA 916/4885

“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.

Send feedback