SCHEMBL2132602

SCHEMBL2132602

CCc1cc(OCCCN(CC(C)(C)C)C(=O)O)ccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 3/20 0.36
CXCR2 P25025 1/20 0.36
HIF1A Q16665 2/20 0.34
UCHL1 P09936 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAOB P27338 3/20 0.32
SIGMAR1 Q99720 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
P4HB P07237 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CACNA1B Q00975 1/20 0.30

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
SCHEMBL2719231 0.84 KDM4E (0.45) KDM4EALDH1A1CXCR2HIF1AMEN1
SCHEMBL2132598 0.80 PDK2 (0.43) KDM4EALDH1A1CXCR2HIF1AMAOB
SCHEMBL2134432 0.79 KDM4E (0.42) KDM4EALDH1A1MEN1KMT2AMAOB
SCHEMBL2719235 0.76 L3MBTL1 (0.42) KDM4EALDH1A1CXCR2HIF1AUCHL1
SCHEMBL2132595 0.75 CXCR2 (0.37) KDM4EALDH1A1CXCR2HIF1AUCHL1
SCHEMBL2137466 0.75 BRD4 (0.47) UCHL1MAOB
SCHEMBL10176513 0.72 DGAT1 (0.54) CXCR2HIF1AUCHL1AAK1
SCHEMBL21114036 0.72 KDM4E (0.40) KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL13202141 0.71 CXCR2 (0.49) CXCR2HIF1AUCHL1
SCHEMBL31111411 0.70 L3MBTL1 (0.35) CXCR2HIF1AUCHL1

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 KDM4E 3897/4885ALDH1A1 2923/4885CXCR2 789/4885

“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.