SCHEMBL23558414

SCHEMBL23558414

O=C1CC(CO)(CO)Oc2ccc(-c3ncc(-c4ccccc4O)o3)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SNCA P37840 1/20 0.38
▸ PTPN1 P18031 5/20 0.36
▸ CREBBP Q92793 1/20 0.35
▸ PTPN2 P17706 1/20 0.35
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ NPC1 O15118 3/20 0.34
▸ GAA P10253 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ ACACB O00763 1/20 0.34
▸ MAPT P10636 4/20 0.33
▸ FAAH O00519 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ TP53 P04637 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ GLA P06280 2/20 0.33
▸ MAPK1 P28482 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL23558245 0.81 KDM4E (0.46) SNCAHSD17B1HSD17B2NPC1GAA
SCHEMBL23558481 0.79 RAB9A (0.42) HSD17B1HSD17B2NPC1GAARAB9A
SCHEMBL25863948 0.75 CNR1 (0.42) GAARAB9AKMT2AMAPTKDM4E
SCHEMBL23558074 0.75 MAPT (0.34) MAPTKDM4ECNR1CNR2AKT1
SCHEMBL23558462 0.74 ACACB (0.34) SNCAACACBAKT1
SCHEMBL23558315 0.74 CHUK (0.45) NPC1RAB9AKMT2AMAPTKDM4E
SCHEMBL23558330 0.74 RAB9A (0.40) HSD17B1HSD17B2NPC1GAARAB9A
SCHEMBL23558451 0.72 NR1H4 (0.52) NPC1GAARAB9AKMT2AMAPT
SCHEMBL23523782 0.72 CASP3 (0.44) NPC1GAARAB9AKMT2AMAPT
SCHEMBL30355558 0.72 CASP3 (0.44) NPC1GAARAB9AKMT2AMAPT

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 SNCA 2550/4885PTPN1 1043/4885CREBBP 591/4885

“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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