SCHEMBL3573493

SCHEMBL3573493

CCOC(=O)NC(Cc1ccco1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
FOLH1 Q04609 2/20 0.45
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44
TYR P14679 1/20 0.44
ALDH1A1 P00352 6/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 2/20 0.43
APEX1 P27695 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.41
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 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
SCHEMBL2837951 0.90 CTSS (0.50) CTSSCTSKALDH1A1POLBMAPT
SCHEMBL1064459 0.87 CTSK (0.48) CTSSCTSKFOLH1ITGB3TYR
SCHEMBL7389196 0.84 TYR (0.56) CTSSCTSKITGB3TYRALDH1A1
SCHEMBL9256981 0.84 TYR (0.56) CTSSCTSKITGB3TYRALDH1A1
SCHEMBL1068894 0.83 CTSS (0.73) CTSSCTSKFOLH1ITGB3
SCHEMBL1068898 0.83 CTSS (0.73) CTSSCTSKFOLH1ITGB3
SCHEMBL9955720 0.83 CTSS (0.73) CTSSCTSKFOLH1ITGB3
SCHEMBL16119123 0.81 FOLH1 (0.49) CTSSCTSKFOLH1ALDH1A1POLB
SCHEMBL2668227 0.79 ALDH1A1 (0.46) CTSSCTSKALDH1A1POLBMAPT
SCHEMBL996291 0.79 L3MBTL1 (0.58) CTSSCTSKITGB3ITGAVTYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8217031-B2 Heteroaryl derivatives NIPPON SHINYAKU CO., LTD. (JP) 2012-07-10 US disclosed
US-20100048537-A1 HETEROARYL DERIVATIVES NIPPON SHINYAKU CO., LTD. (JP) 2010-02-25 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-20100048537-A1 HETEROARYL DERIVATIVES OPRD1, OPRM1, OPRK1 CTSS 1124/4885CTSK 1678/4885FOLH1 1296/4885

“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.