SCHEMBL2631499

SCHEMBL2631499

CCOC(=O)CCCCOc1ccc(-c2noc(-c3ccc(OC(C)C)c(N)c3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.46
ACHE P22303 2/20 0.46
MAP4K4 O95819 1/20 0.45
PRKCD Q05655 1/20 0.45
MINK1 Q8N4C8 1/20 0.45
KDM4E B2RXH2 2/20 0.44
HSD17B10 Q99714 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
S1PR1 P21453 11/20 0.43
S1PR3 Q99500 7/20 0.43
S1PR5 Q9H228 5/20 0.43
TPH1 P17752 2/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ACACB O00763 1/20 0.41

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
SCHEMBL2631511 0.89 S1PR1 (0.49) S1PR1S1PR3S1PR5TPH1
SCHEMBL2631498 0.89 S1PR1 (0.49) MAP4K4PRKCDMINK1S1PR1S1PR3
SCHEMBL2631495 0.89 S1PR1 (0.49) S1PR1S1PR3S1PR5
SCHEMBL2130705 0.87 S1PR1 (0.55) S1PR1S1PR3S1PR5
SCHEMBL2631510 0.87 S1PR1 (0.49) MAP4K4PRKCDMINK1S1PR1S1PR3
SCHEMBL2619453 0.84 S1PR1 (0.44) MAP4K4PRKCDMINK1KDM4EHSD17B10
SCHEMBL2135247 0.84 S1PR1 (0.56) S1PR1S1PR3S1PR5
SCHEMBL2134091 0.81 S1PR1 (0.62) MAP4K4PRKCDMINK1S1PR1S1PR3
SCHEMBL2135228 0.80 S1PR1 (0.55) MAP4K4PRKCDMINK1S1PR1S1PR3
SCHEMBL2605697 0.79 S1PR1 (0.65) S1PR1S1PR3S1PR5

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-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS GLAXO GROUP LIMITED 2012-04-26 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-20120101136-A1 5-MEMBERED HETEROARYL DERIVATIVES USED AS SPHINGOSINE 1- PHOSPHATE RECEPTOR AGONISTS S1PR1, S1PR5, S1PR3 BCHE 4460/4885ACHE 4737/4885MAP4K4 1653/4885

“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.