SCHEMBL5766980

SCHEMBL5766980

CC1=C(C(=O)OCCc2ccccc2)CNC(=S)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.44
ESR2 Q92731 1/20 0.44
MMP1 P03956 2/20 0.43
MMP2 P08253 2/20 0.43
MMP12 P39900 2/20 0.43
MMP9 P14780 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5911512 0.93 MMP1 (0.50) MMP1MMP2MMP12NPC1RAB9A
SCHEMBL5793361 0.91 MMP1 (0.46) MMP1MMP2MMP12DHFRCHRM5
SCHEMBL5767491 0.90 CA1 (0.47) MMP2MMP12NPC1RAB9AALDH1A1
SCHEMBL5911444 0.89 ALDH1A1 (0.42) ESR1ESR2MMP1MMP2MMP12
SCHEMBL5764155 0.88 CHRM5 (0.48) MMP1MMP2MMP12MMP9L3MBTL1
SCHEMBL5911606 0.88 CHRM5 (0.43) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL5911596 0.88 CHRM5 (0.43) ALDH1A1CYP3A4TSHRCHRM5CHRM1
SCHEMBL5767043 0.87 ALDH1A1 (0.51) MMP2MMP12MMP9NPC1RAB9A
SCHEMBL5911255 0.87 NPC1 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2GLA
SCHEMBL5911565 0.86 THRB (0.47) MMP1MMP2MMP12MMP9NPC1

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 ESR1 3234/4885ESR2 2280/4885MMP1 3271/4885

“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.