SCHEMBL23558357

SCHEMBL23558357

O=C(O)Oc1ccc(-c2coc(-c3ccc4c(c3)C(=O)CC(CO)(CO)O4)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 11/20 0.37
▸ ALDH1A1 P00352 10/20 0.37
▸ GAA P10253 8/20 0.37
▸ HPGD P15428 5/20 0.37
▸ GLA P06280 4/20 0.37
▸ CASP1 P29466 3/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ CASP7 P55210 2/20 0.37
▸ ACACB O00763 1/20 0.36
▸ ENPP3 O14638 2/20 0.35
▸ ENPP1 P22413 2/20 0.35
▸ MMP13 P45452 4/20 0.34
▸ KLK7 P49862 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL23558464 0.83 ACACB (0.37) ACACBENPP3ENPP1HSD17B1HSD17B2
SCHEMBL25863741 0.75 ACACB (0.37) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL23558565 0.73 NPC1 (0.42) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL23558458 0.72 MMP13 (0.40) KDM4EALDH1A1GAAHPGDGLA
SCHEMBL25856816 0.72 ACACB (0.35) KDM4EACACBHSD17B1HSD17B2
SCHEMBL23558336 0.70 CNR1 (0.35) ACACBENPP3ENPP1MMP13HSD17B1
SCHEMBL23558412 0.69 TPH1 (0.42) KDM4EALDH1A1HPGDHSD17B10NPC1
SCHEMBL23524238 0.68 NPC1 (0.44) ALDH1A1GAAHSD17B10NPC1SMN1; SMN2
SCHEMBL23558300 0.68 PPM1D (0.37) ACACBMMP13
SCHEMBL23558568 0.67 HSD17B1 (0.46) KDM4EALDH1A1HPGDKLK7NPC1

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 KDM4E 2644/4885ALDH1A1 2583/4885GAA 3859/4885

“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.

Send feedback