SCHEMBL5768604

SCHEMBL5768604

CC1=C(C(=O)OCc2ccc(F)cc2Cl)C(CO)NC(=S)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 6/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
ALOX15 P16050 1/20 0.47
HSD17B10 Q99714 1/20 0.47
POLB P06746 1/20 0.46
DHFR P00374 2/20 0.42
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
ALOX12 P18054 2/20 0.41
TP53 P04637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
ADORA2B P29275 2/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 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
SCHEMBL5767662 0.92 SMN1; SMN2 (0.48) SMN1; SMN2HTTALDH1A1L3MBTL1NPSR1
SCHEMBL5765552 0.90 ALDH1A1 (0.42) SMN1; SMN2HTTALDH1A1L3MBTL1NPSR1
SCHEMBL5911335 0.82 ALDH1A1 (0.40) SMN1; SMN2HTTALDH1A1ALOX15POLB
SCHEMBL5794274 0.80 ALDH1A1 (0.47) SMN1; SMN2HTTALDH1A1L3MBTL1NPSR1
SCHEMBL5765936 0.79 ALDH1A1 (0.44) SMN1; SMN2HTTALDH1A1NPSR1ALOX15
SCHEMBL5766800 0.78 ALDH1A1 (0.47) SMN1; SMN2HTTALDH1A1L3MBTL1NPSR1
SCHEMBL5911509 0.77 SMN1; SMN2 (0.50) SMN1; SMN2HTTALDH1A1L3MBTL1NPSR1
SCHEMBL5766699 0.76 SMN1; SMN2 (0.65) SMN1; SMN2HTTALDH1A1L3MBTL1NPSR1
SCHEMBL5765692 0.76 ALDH1A1 (0.46) SMN1; SMN2HTTALDH1A1L3MBTL1NPSR1
SCHEMBL5765770 0.76 ALDH1A1 (0.43) SMN1; SMN2HTTALDH1A1L3MBTL1NPSR1

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 SMN1; SMN2 4724/4885HTT 4358/4885ALDH1A1 1058/4885

“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.