SCHEMBL5911348

SCHEMBL5911348

CC1=C(C(=O)OCCc2ccc(N(C)C)cc2)C(CO)NC(=S)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
KDM4E B2RXH2 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
HSD17B10 Q99714 1/20 0.43
DHFR P00374 2/20 0.43
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
ADORA2B P29275 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL5765665 0.89 CA1 (0.54) ALDH1A1DHFRCA1CA2SMN1; SMN2
SCHEMBL5765692 0.87 ALDH1A1 (0.46) ALDH1A1DHFRCA1CA2SMN1; SMN2
SCHEMBL5765826 0.87 ALDH1A1 (0.47) ALDH1A1DHFRCA1CA2SMN1; SMN2
SCHEMBL5805050 0.85 ALDH1A1 (0.44) ALDH1A1DHFRCA1CA2SMN1; SMN2
SCHEMBL5766870 0.84 DHFR (0.47) ALDH1A1DHFRCA1CA2SMN1; SMN2
SCHEMBL5766768 0.82 ALDH1A1 (0.47) ALDH1A1DHFRCA1CA2SMN1; SMN2
SCHEMBL5767639 0.82 ALDH1A1 (0.44) ALDH1A1DHFRCA1CA2SMN1; SMN2
SCHEMBL5764738 0.82 ALDH1A1 (0.44) ALDH1A1DHFRCA1CA2SMN1; SMN2
SCHEMBL5767258 0.81 ALDH1A1 (0.47) ALDH1A1DHFRCA1CA2SMN1; SMN2
SCHEMBL5766723 0.81 ALDH1A1 (0.51) ALDH1A1DHFRCA1CA2SMN1; SMN2

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-20060116390-A1 Hepatitis c virus inhibitors LG LIFE SCIENCES LTD. (KR) 2006-06-01 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-20060116390-A1 Hepatitis c virus inhibitors HAVCR2, LIPC, FABP1 ALDH1A1 1058/4885KDM4E 4199/4885TDP1 4469/4885

“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.