SCHEMBL23558254

SCHEMBL23558254

O=C1CC(CO)(CO)Oc2ccc(-c3nc(-c4ccncc4O)no3)cc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 9/20 0.38
▸ S1PR3 Q99500 3/20 0.38
▸ ACACB O00763 2/20 0.33
▸ CA9 Q16790 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ NPC1 O15118 3/20 0.32
▸ RAB9A P51151 3/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CHRNB2 P17787 1/20 0.32
▸ CHRNA5 P30532 1/20 0.32
▸ CHRNA4 P43681 1/20 0.32
▸ TP53 P04637 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL23523935 0.91 S1PR1 (0.41) S1PR1S1PR3KDM4EHPGDHSD17B10
SCHEMBL30355618 0.91 S1PR1 (0.41) S1PR1S1PR3KDM4EHPGDHSD17B10
SCHEMBL23524238 0.87 NPC1 (0.44) S1PR1S1PR3CA9HSD17B10NPC1
SCHEMBL23524204 0.85 NPC1 (0.49) S1PR1CA9KDM4EHPGDHSD17B10
SCHEMBL23558412 0.84 TPH1 (0.42) S1PR1S1PR3KDM4EHPGDHSD17B10
SCHEMBL30355766 0.81 S1PR1 (0.53) S1PR1S1PR3NPC1RAB9AMAPT
SCHEMBL23524301 0.81 S1PR1 (0.53) S1PR1S1PR3NPC1RAB9AMAPT
SCHEMBL23558493 0.80 TPH1 (0.41) S1PR1S1PR3KDM4EHSD17B10NPC1
SCHEMBL23558451 0.80 NR1H4 (0.52) S1PR1HPGDHSD17B10NPC1RAB9A
SCHEMBL23558565 0.80 NPC1 (0.42) S1PR1S1PR3KDM4EHPGDHSD17B10

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 S1PR1 1/4885S1PR3 3/4885ACACB 3779/4885

“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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