SCHEMBL3561277

SCHEMBL3561277

O=C(O)CC(NCc1ccc(N2CCN(c3cccc(C4CCCCC4)c3)C2=O)cc1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.37
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
P2RX3 P56373 2/20 0.35
ACE P12821 5/20 0.35
PRSS1 P07477 1/20 0.34
MEP1B Q16820 2/20 0.34
PRMT1 Q99873 1/20 0.34
NOTUM Q6P988 1/20 0.34
NAAA Q02083 1/20 0.34
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 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
SCHEMBL13006931 0.86 HTR2C (0.37) KMOPDCD1CD274P2RX3ACE
SCHEMBL3554123 0.82 S1PR1 (0.41) KMOMAPTHPGDPRMT1NAAA
SCHEMBL3559574 0.81 OPRM1 (0.37) KMOMAPTHPGDP2RX3PRSS1
SCHEMBL3555846 0.81 RECQL (0.41) KMOMAPTHPGD
SCHEMBL3556463 0.80 S1PR1 (0.38) KMOCD274MAPTHPGDPRMT1
SCHEMBL3553651 0.80 FFAR4 (0.43) KMOPRMT1
SCHEMBL14423045 0.80 HPGD (0.39) KMOMAPTHPGDPRMT1NAAA
SCHEMBL3555262 0.79 HDAC4 (0.42) KMOPRSS1PRMT1NAAADRD2
SCHEMBL3557933 0.77 KMO (0.37) KMOPRMT1NOTUMNAAADRD2
SCHEMBL13006961 0.77 DRD2 (0.42) KMOPRSS1DRD2DRD3KCNH2

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2010-12-16 US claimed
US-7790707-B2 S1P receptor modulating compounds and use thereof EPIX PHARMACEUTICALS INC. (US) 2010-09-07 US claimed
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof EPIX PHARMACEUTICALS, INC. (US) 2010-12-16 US disclosed
US-7790707-B2 S1P receptor modulating compounds and use thereof EPIX PHARMACEUTICALS INC. (US) 2010-09-07 US disclosed
US-7790707-B2 S1P receptor modulating compounds and use thereof EPIX PHARMACEUTICALS INC. (US) 2010-09-07 US disclosed
US-7790707-B2 S1P receptor modulating compounds and use thereof EPIX PHARMACEUTICALS INC. (US) 2010-09-07 US disclosed
EP-2010524-A2 S1P RECEPTOR MODULATING COMPOUNDS Epix Delaware, Inc. (US) 2009-01-07 EP disclosed
US-20080015177-A1 S1P receptor modulating compounds and use thereof AMGEN INC. 2008-01-17 US disclosed
US-20080015177-A1 S1P receptor modulating compounds and use thereof AMGEN INC. 2008-01-17 US disclosed
US-20080015177-A1 S1P receptor modulating compounds and use thereof AMGEN INC. 2008-01-17 US disclosed
WO-2007109330-A2 S1P RECEPTOR MODULATING COMPOUNDS EPIX DELAWARE, INC. (US) 2007-09-27 WO disclosed
WO-2007109330-A2 S1P RECEPTOR MODULATING COMPOUNDS EPIX DELAWARE, INC. (US) 2007-09-27 WO 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 (2 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-20080015177-A1 S1P receptor modulating compounds and use thereof S1PR1, S1PR2, S1PR5 KMO 2321/4885PDCD1 2922/4885CD274 2472/4885
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR2, S1PR5 KMO 2321/4885PDCD1 2922/4885CD274 2472/4885

“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.