SCHEMBL5794796

SCHEMBL5794796

CCOc1ccccc1CCOC(=O)C1=C(C)NC(=S)NC1CS(=O)(=O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
DHFR P00374 3/20 0.44
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
LMNA P02545 6/20 0.41
ALOX12 P18054 1/20 0.40
CA12 O43570 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
ADORA2B P29275 2/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 2/20 0.39
ABCB1 P08183 2/20 0.39
TSHR P16473 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL5765677 0.87 DHFR (0.50) ALDH1A1SMN1; SMN2DHFRCA1CA2
SCHEMBL5764905 0.85 DHFR (0.48) ALDH1A1SMN1; SMN2DHFRCA1CA2
SCHEMBL5765335 0.77 DHFR (0.54) ALDH1A1SMN1; SMN2DHFRCA1CA2
SCHEMBL5793347 0.75 DHFR (0.50) ALDH1A1SMN1; SMN2DHFRCA1CA2
SCHEMBL5766061 0.75 DHFR (0.53) ALDH1A1SMN1; SMN2DHFRCA1CA2
SCHEMBL5793452 0.74 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2DHFRCA1CA2
SCHEMBL5911456 0.72 DHFR (0.41) ALDH1A1DHFRCA1CA2LMNA
SCHEMBL5766967 0.72 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2DHFRCA1CA2
SCHEMBL5766870 0.70 DHFR (0.47) ALDH1A1SMN1; SMN2DHFRCA1CA2
SCHEMBL5765442 0.68 CACNA1C (0.44) ALDH1A1SMN1; SMN2DHFRCA1CA2

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 3 patents. 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
EP-1633725-A1 HEPATITIS C VIRUS INHIBITORS LG Life Sciences Ltd. (KR) 2006-03-15 EP disclosed
WO-2004111013-A1 HEPATITIS C VIRUS INHIBITORS LG LIFE SCIENCES LTD. (KR) 2004-12-23 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 (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 1058/4885SMN1; SMN2 4724/4885DHFR 2581/4885

“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.