SCHEMBL23558412

SCHEMBL23558412

O=C1CC(CO)(CO)Oc2ccc(-c3nc(-c4ccc(O)cc4)no3)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 5/20 0.42
▸ MAPT P10636 5/20 0.41
▸ NPC1 O15118 5/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ PKM P14618 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ HSD17B10 Q99714 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
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ S1PR1 P21453 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ TP53 P04637 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
SCHEMBL23558439 0.94 TPH1 (0.42) TPH1MAPTNPC1SMN1; SMN2RAB9A
SCHEMBL23523871 0.90 MAPT (0.43) TPH1MAPTNPC1SMN1; SMN2RAB9A
SCHEMBL30355740 0.90 MAPT (0.43) TPH1MAPTNPC1SMN1; SMN2RAB9A
SCHEMBL23524238 0.90 NPC1 (0.44) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL23558493 0.90 TPH1 (0.41) TPH1MAPTNPC1SMN1; SMN2RAB9A
SCHEMBL23558565 0.89 NPC1 (0.42) TPH1MAPTNPC1SMN1; SMN2RAB9A
SCHEMBL23524204 0.85 NPC1 (0.49) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL23558254 0.84 S1PR1 (0.38) MAPTNPC1SMN1; SMN2RAB9APKM
SCHEMBL23558451 0.83 NR1H4 (0.52) MAPTNPC1SMN1; SMN2RAB9AKMT2A
SCHEMBL23558568 0.83 HSD17B1 (0.46) MAPTNPC1SMN1; SMN2RAB9AKMT2A

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-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 TPH1 786/4885MAPT 3799/4885NPC1 301/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 TPH1 786/4885MAPT 3799/4885NPC1 301/4885

“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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