SCHEMBL2330665

SCHEMBL2330665

Cc1ccc(CC(=O)O)c(C(=O)O)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.44
DUSP3 P51452 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPN11 Q06124 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 1/20 0.41
SRC P12931 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
PTGS2 P35354 1/20 0.37
AKR1B1 P15121 1/20 0.37
AGBL2 Q5U5Z8 1/20 0.37
CXCL8 P10145 2/20 0.36

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
SCHEMBL24913070 0.85 METAP2 (0.41) SMN1; SMN2MEN1KMT2AHTT
SCHEMBL15870980 0.83 RXRA (0.44) SMN1; SMN2RXRARXRBRXRGSRC
SCHEMBL18329485 0.78 MEN1 (0.45) SMN1; SMN2CYP3A4MEN1KMT2AHTT
SCHEMBL2334035 0.78 HSD17B10 (0.51) SMN1; SMN2DUSP3PTPN5PTPN11CTDSP1
SCHEMBL8923355 0.78 SMN1; SMN2 (0.50) SMN1; SMN2DUSP3PTPN5PTPN11CTDSP1
SCHEMBL26814320 0.76 HSD17B10 (0.41) SMN1; SMN2CTDSP1RXRARXRBRXRG
SCHEMBL1018937 0.75 MEN1 (0.42) SMN1; SMN2CYP3A4MEN1KMT2AHTT
SCHEMBL2336127 0.74 DUSP3 (0.59) SMN1; SMN2DUSP3PTPN5PTPN11CTDSP1
SCHEMBL868679 0.74 PTGS2 (0.54) SMN1; SMN2DUSP3PTPN5PTPN11CTDSP1
SCHEMBL2142648 0.74 CYP1A2 (0.45) SMN1; SMN2CYP1A2CYP3A4CYP2C19MEN1

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 SMN1; SMN2 4405/4885DUSP3 157/4885PTPN5 1969/4885

“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.