SCHEMBL25857464

SCHEMBL25857464

Cc1noc(-c2ccc3c(c2)C(=O)CC(C)(C)O3)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.52
▸ MAPK14 Q16539 1/20 0.44
▸ KDM4E B2RXH2 11/20 0.44
▸ ALDH1A1 P00352 9/20 0.44
▸ GAA P10253 8/20 0.44
▸ HPGD P15428 5/20 0.44
▸ GLA P06280 5/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ CASP7 P55210 1/20 0.44
▸ ACHE P22303 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PDK2 Q15119 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ BCHE P06276 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 1/20 0.38

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
SCHEMBL23523822 0.83 NPC1 (0.50) MAPTALDH1A1GAAHPGDHSD17B10
SCHEMBL23524309 0.80 NPC1 (0.52) MAPTKDM4EALDH1A1HPGDHSD17B10
SCHEMBL6559273 0.76 MAPT (0.60) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL6559565 0.74 MAPT (0.61) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL68892 0.73 MAPT (0.69) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL23558350 0.73 POLB (0.40) MAPTKDM4EALDH1A1GAA
SCHEMBL23523716 0.72 NPC1 (0.43) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL30355571 0.72 NPC1 (0.43) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL1821389 0.72 MAPT (0.71) MAPTKDM4EALDH1A1GAAHPGD
SCHEMBL25857627 0.71 MAPK14 (0.46) MAPTMAPK14ACHEPDK2TP53

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 2 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

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 MAPT 3799/4885MAPK14 3373/4885KDM4E 2644/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 MAPT 3799/4885MAPK14 3373/4885KDM4E 2644/4885

“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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