SCHEMBL23558464

SCHEMBL23558464

O=C1CC(CO)(CO)Oc2ccc(-c3nc(-c4ccc(C(=O)C(O)O)cc4)co3)cc21

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 4/20 0.37
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ ENPP3 O14638 1/20 0.31
▸ ENPP1 P22413 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
SCHEMBL25863741 0.92 ACACB (0.37) ACACBHSD17B1HSD17B2ENPP3ENPP1
SCHEMBL23558357 0.83 KDM4E (0.37) ACACBHSD17B1HSD17B2ENPP3ENPP1
SCHEMBL25856816 0.78 ACACB (0.35) ACACBHSD17B1HSD17B2
SCHEMBL23558152 0.76 MAPT (0.30) —
SCHEMBL23558458 0.72 MMP13 (0.40) ACACBHSD17B1HSD17B2ENPP3ENPP1
SCHEMBL23558412 0.71 TPH1 (0.42) —
SCHEMBL23558336 0.70 CNR1 (0.35) ACACBHSD17B1HSD17B2ENPP3ENPP1
SCHEMBL23524238 0.70 NPC1 (0.44) —
SCHEMBL23558565 0.69 NPC1 (0.42) —
SCHEMBL25863960 0.68 RARB (0.40) ACACB

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 ACACB 3779/4885HSD17B1 2149/4885HSD17B2 2368/4885

“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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