SCHEMBL23558439

SCHEMBL23558439

CCC1(CO)CC(=O)c2cc(-c3nc(-c4ccc(O)cc4)no3)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 5/20 0.42
▸ MAPT P10636 3/20 0.40
▸ S1PR1 P21453 3/20 0.37
▸ S1PR3 Q99500 2/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ PKM P14618 2/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 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
SCHEMBL23523871 0.95 MAPT (0.43) TPH1MAPTS1PR1S1PR3NPC1
SCHEMBL30355740 0.95 MAPT (0.43) TPH1MAPTS1PR1S1PR3NPC1
SCHEMBL23558412 0.94 TPH1 (0.42) TPH1MAPTS1PR1S1PR3NPC1
SCHEMBL23523716 0.85 NPC1 (0.43) MAPTNPC1SMN1; SMN2PKMNFKB1
SCHEMBL30355571 0.85 NPC1 (0.43) MAPTNPC1SMN1; SMN2PKMNFKB1
SCHEMBL23558315 0.85 CHUK (0.45) TPH1MAPTNPC1SMN1; SMN2HSD17B10
SCHEMBL30355380 0.85 TPH1 (0.43) TPH1MAPTS1PR1S1PR3NPC1
SCHEMBL23523878 0.85 TPH1 (0.43) TPH1MAPTS1PR1S1PR3NPC1
SCHEMBL23523721 0.85 NPC1 (0.38) MAPTS1PR1S1PR3NPC1SMN1; SMN2
SCHEMBL23524197 0.85 CNR1 (0.48) MAPTNPC1SMN1; SMN2PKMKMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 TPH1 786/4885MAPT 3799/4885S1PR1 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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