SCHEMBL23523915

SCHEMBL23523915

CCC1(CC)CC(=O)c2cc(-c3nc(-c4ccc(C(F)(F)F)nc4)no3)ccc2O1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 1/20 0.44
▸ PLAT P00750 1/20 0.41
▸ S1PR1 P21453 13/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ RAF1 P04049 1/20 0.35
▸ S1PR3 Q99500 3/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ MAPT P10636 1/20 0.34

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
SCHEMBL30355628 1.00 CASP3 (0.44) CASP3PLATS1PR1CNR1CNR2
SCHEMBL23523797 0.88 S1PR1 (0.42) S1PR1CNR1CNR2RAF1S1PR3
SCHEMBL30355435 0.88 S1PR1 (0.42) S1PR1CNR1CNR2RAF1S1PR3
SCHEMBL30355441 0.88 S1PR1 (0.37) S1PR1CNR1CNR2S1PR3MAPT
SCHEMBL23524208 0.88 S1PR1 (0.37) S1PR1CNR1CNR2S1PR3MAPT
SCHEMBL23523888 0.87 ACHE (0.39) S1PR1MAPT
SCHEMBL30355472 0.87 ACHE (0.39) S1PR1MAPT
SCHEMBL23524429 0.86 S1PR1 (0.39) S1PR1CNR1CNR2S1PR3MAPT
SCHEMBL30355437 0.86 S1PR1 (0.39) S1PR1CNR1CNR2S1PR3MAPT
SCHEMBL23523751 0.84 S1PR1 (0.41) S1PR1CNR1CNR2S1PR3

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 4 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-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 CASP3 3079/4885PLAT 1476/4885S1PR1 1/4885
US-20230114241-A1 METHODS OF TREATING EPILEPSY USING THE SAME S1PR1, S1PR2, S1PR3 CASP3 3091/4885PLAT 2750/4885S1PR1 1/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 CASP3 3079/4885PLAT 1476/4885S1PR1 1/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 CASP3 3079/4885PLAT 1476/4885S1PR1 1/4885

“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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