SCHEMBL5795527

SCHEMBL5795527

CC1=C(C(=O)OCCOCCc2ccsc2)C(CO)NC(=S)N1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.50
ADORA2B P29275 7/20 0.50
POLB P06746 2/20 0.50
KMT2A Q03164 2/20 0.43
DHFR P00374 1/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 2/20 0.41
TDP1 Q9NUW8 1/20 0.40
ALOX12 P18054 1/20 0.40
GAA P10253 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
SCHEMBL5766951 0.95 ALDH1A1 (0.53) ALDH1A1ADORA2BPOLBKMT2ADHFR
SCHEMBL5764058 0.91 ALDH1A1 (0.51) ALDH1A1ADORA2BPOLBKMT2ADHFR
SCHEMBL5768178 0.90 ALDH1A1 (0.50) ALDH1A1ADORA2BPOLBKMT2ADHFR
SCHEMBL5911660 0.85 ALDH1A1 (0.52) ALDH1A1ADORA2BPOLBKMT2ADHFR
SCHEMBL5765472 0.85 ALDH1A1 (0.52) ALDH1A1ADORA2BPOLBKMT2ADHFR
SCHEMBL5794417 0.85 ALDH1A1 (0.52) ALDH1A1ADORA2BPOLBKMT2ADHFR
SCHEMBL5765468 0.85 ALDH1A1 (0.52) ALDH1A1ADORA2BPOLBKMT2ADHFR
SCHEMBL5767175 0.84 ADORA2B (0.51) ALDH1A1ADORA2BPOLBKMT2ADHFR
SCHEMBL5767076 0.84 ALDH1A1 (0.47) ALDH1A1ADORA2BPOLBKMT2ADHFR
SCHEMBL5767034 0.84 ADORA2B (0.50) ALDH1A1ADORA2BPOLBKMT2ADHFR

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 1058/4885ADORA2B 3114/4885POLB 1124/4885

“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.