SCHEMBL2742893

SCHEMBL2742893

O=S(=O)(O)c1cccc2cccc(NCc3ccccc3)c12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.62
FABP4 P15090 1/20 0.62
CCNA2 P20248 1/20 0.62
CDK2 P24941 1/20 0.62
MAPK14 Q16539 1/20 0.62
NR4A1 P22736 1/20 0.61
HSD17B10 Q99714 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.43
CHAT P28329 1/20 0.42
SNCA P37840 1/20 0.42
KDM4E B2RXH2 2/20 0.41
GSK3B P49841 2/20 0.41
SCN9A Q15858 1/20 0.41
CD40 P25942 2/20 0.40
CD40LG P29965 2/20 0.40
CISD1 Q9NZ45 1/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL13018041 0.85 TTR (0.46) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL401444 0.84 HSD17B10 (0.55) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL29377096 0.84 HSD17B10 (0.55) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL28535503 0.83 HSD17B10 (0.53) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL28533341 0.83 HSD17B10 (0.53) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL21725437 0.81 TTR (0.60) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL27459951 0.80 TTR (0.59) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL12380350 0.78 TTR (0.40) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL8514648 0.78 TTR (0.56) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL30950399 0.78 TTR (0.56) TTRFABP4CCNA2CDK2MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS INC (US) 2016-12-15 US disclosed
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2014-06-26 US disclosed
US-RE44778-E1 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2014-02-25 US disclosed
US-8633303-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2014-01-21 US disclosed
US-20120004190-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2012-01-05 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 (3 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-20120004190-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG TTR 3494/4885FABP4 1233/4885CCNA2 3014/4885
US-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG TTR 3494/4885FABP4 1233/4885CCNA2 3014/4885
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG TTR 3494/4885FABP4 1233/4885CCNA2 3014/4885

“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.