SCHEMBL23558493

SCHEMBL23558493

O=C1CC(CO)(CO)Oc2ccc(-c3nc(-c4cccc(O)c4)no3)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TPH1 P17752 3/20 0.41
▸ GAA P10253 1/20 0.40
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 5/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ MAPT P10636 3/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ S1PR1 P21453 2/20 0.37
▸ S1PR3 Q99500 1/20 0.37
▸ NR1H4 Q96RI1 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ BLVRB P30043 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ KDM4E B2RXH2 2/20 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
SCHEMBL23523878 0.91 TPH1 (0.43) TPH1GAANPC1RAB9AL3MBTL1
SCHEMBL30355380 0.91 TPH1 (0.43) TPH1GAANPC1RAB9AL3MBTL1
SCHEMBL23558412 0.90 TPH1 (0.42) TPH1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL23524204 0.85 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KMT2APKM
SCHEMBL23524238 0.85 NPC1 (0.44) GAANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL23558433 0.84 HSD17B1 (0.51) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23558439 0.84 TPH1 (0.42) TPH1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL23558565 0.84 NPC1 (0.42) TPH1GAANPC1RAB9ASMN1; SMN2
SCHEMBL23558451 0.82 NR1H4 (0.52) GAANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL23523871 0.81 MAPT (0.43) TPH1NPC1RAB9ASMN1; SMN2MEN1

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 786/4885GAA 3859/4885NPC1 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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