SCHEMBL21725437

SCHEMBL21725437

O=S(=O)(O)c1cccc2cccc(NCO)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.60
FABP4 P15090 1/20 0.60
CCNA2 P20248 1/20 0.60
CDK2 P24941 1/20 0.60
MAPK14 Q16539 1/20 0.60
NR4A1 P22736 1/20 0.59
CD40 P25942 3/20 0.43
CD40LG P29965 3/20 0.43
SNCA P37840 2/20 0.39
CHAT P28329 1/20 0.39
FABP1 P07148 1/20 0.36
CASP6 P55212 1/20 0.36
TSHR P16473 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPY5R Q15761 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
SCHEMBL27459951 0.85 TTR (0.59) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL30950399 0.83 TTR (0.56) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL8514648 0.83 TTR (0.56) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL2742893 0.81 TTR (0.62) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL21857967 0.80 TTR (0.54) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL23178061 0.79 TTR (0.64) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL6911279 0.79 TTR (0.64) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL1742117 0.78 TTR (0.59) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL18769044 0.77 TTR (0.60) TTRFABP4CCNA2CDK2MAPK14
SCHEMBL18768617 0.76 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10562848-B2 Inhibitors of TNF superfamily costimulatory interactions and methods for uses of the same UNIVERSITY OF MIAMI (US) 2020-02-18 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-10562848-B2 Inhibitors of TNF superfamily costimulatory interactions and methods for uses of the same CD40, TNFRSF9, TNFRSF1A TTR 2920/4885FABP4 3476/4885CCNA2 4683/4885

“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.