SCHEMBL2334035

SCHEMBL2334035

COc1ccc(CC(=O)O)c(C(=O)O)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
GAA P10253 3/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA9 Q16790 2/20 0.44
CA14 Q9ULX7 2/20 0.44
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
CTDSP1 Q9GZU7 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DUSP3 P51452 1/20 0.41

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
SCHEMBL22993464 0.87 CA12 (0.47) HSD17B10CA12CA1CA2CA7
SCHEMBL2139124 0.85 HSD17B10 (0.56) HSD17B10GAANPSR1LMNAMAPK1
SCHEMBL29532573 0.85 HSD17B10 (0.56) HSD17B10GAANPSR1LMNAMAPK1
SCHEMBL14855948 0.81 CA12 (0.61) HSD17B10CA12CA1CA2CA7
SCHEMBL10618516 0.79 HSD17B10 (0.53) HSD17B10GAANPSR1LMNAMAPK1
SCHEMBL2330665 0.78 SMN1; SMN2 (0.44) HTTCTDSP1DUSP3PTPN5PTPN11
SCHEMBL201405 0.78 LMNA (0.53) HSD17B10CA12CA1CA2CA7
SCHEMBL29792549 0.78 LMNA (0.53) HSD17B10CA12CA1CA2CA7
SCHEMBL4395979 0.77 GAA (0.46) HSD17B10GAANPSR1LMNAMAPK1
SCHEMBL3234088 0.77 CXCL8 (0.53) HSD17B10GAANPSR1CA12CA1

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-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) 2011-09-15 US disclosed
EP-2358682-A2 ISOQUINOLONE DERIVATIVES AS INHIBITORS OF PLAVIVIRUS REPLICATION Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) 2011-08-24 EP disclosed
WO-2010055164-A2 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION KATHOLIEKE UNIVERSITEIT LEUVEN, K.U.LEUVEN R&D (BE) 2010-05-20 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-20110224208-A1 NOVEL INHIBITORS OF FLAVIVIRUS REPLICATION MAVS, IRF3, EIF2AK2 HSD17B10 1021/4885GAA 2348/4885NPSR1 4266/4885

“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.