SCHEMBL3554080

SCHEMBL3554080

COC(=O)c1ccc(N2CCN(c3cccc(Br)c3)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSG P08311 2/20 0.46
CMA1 P23946 2/20 0.46
NPC1 O15118 3/20 0.45
HDAC1 Q13547 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 2/20 0.45
RAB9A P51151 2/20 0.45
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
F10 P00742 2/20 0.44
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRMT1 Q99873 1/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 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
SCHEMBL3552954 0.86 MAPT (0.50) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL13006962 0.86 ALDH1A1 (0.56) CTSGCMA1NPC1HDAC1MAPT
SCHEMBL3559364 0.85 NPC1 (0.45) CTSGCMA1NPC1MAPTMEN1
SCHEMBL3551549 0.85 CTSG (0.46) CTSGCMA1NPC1HDAC1MAPT
SCHEMBL14423199 0.85 CTSG (0.46) CTSGCMA1NPC1HDAC1MAPT
SCHEMBL3555407 0.82 CTSG (0.44) CTSGCMA1NPC1HDAC1MAPT
SCHEMBL3561479 0.81 DRD2 (0.48) NPC1HDAC1MAPTMEN1RAB9A
SCHEMBL3551948 0.79 KMO (0.43) CTSGCMA1NPC1MAPTRAB9A
SCHEMBL3553014 0.79 EGFR (0.52) CTSGCMA1NPC1HDAC1MAPT
SCHEMBL134726 0.79 F10 (0.52) CTSGCMA1NPC1MAPTMEN1

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 9 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 disclosed
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
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
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 CTSG 3184/4885CMA1 2629/4885NPC1 531/4885
US-20100317649-A1 S1P Receptor Modulating Compounds and Use Thereof S1PR1, S1PR2, S1PR5 CTSG 3184/4885CMA1 2629/4885NPC1 531/4885

“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.