SCHEMBL2335889

SCHEMBL2335889

O=C(O)Cc1ccc(I)cc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPRA P18433 1/20 0.46
PTPRB P23467 1/20 0.46
PTPRE P23469 1/20 0.46
PTPN6 P29350 1/20 0.46
AKR1B1 P15121 1/20 0.39
TPMT P51580 1/20 0.39
BCAT2 O15382 1/20 0.39
SRC P12931 1/20 0.39
CYP1A2 P05177 2/20 0.38
PKLR P30613 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
CAMK2A Q9UQM7 1/20 0.36
GPR17 Q13304 1/20 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
SCHEMBL16831460 0.82 PTPRC (0.47) PTPRCPTPN2PTPN1PTPRAPTPRB
SCHEMBL9959316 0.78 CA2 (0.55) AKR1B1ALDH1A1CAMK2ACA12CA7
SCHEMBL2006540 0.77 AKR1B1 (0.43) AKR1B1SRCCYP1A2CAMK2AMAP2K2
SCHEMBL7612980 0.77 SRC (0.46) AKR1B1SRCCYP1A2MAPTMEN1
SCHEMBL29126669 0.77 IDO1 (0.49) AKR1B1SRCCAMK2A
SCHEMBL29126683 0.77 RXRA (0.51) AKR1B1SRCCYP1A2MAPTHSD17B10
SCHEMBL2334381 0.77 ALDH1A1 (0.57) KDM4EMEN1ALDH1A1KMT2AHSD17B10
SCHEMBL1021069 0.77 KEAP1 (0.53) AKR1B1BCAT2SRCPKLRKDM4E
SCHEMBL1400054 0.77 KDM4E (0.53) CYP1A2KDM4EMEN1KMT2AAPEX1
SCHEMBL31053264 0.77 KDM4E (0.53) CYP1A2KDM4EMEN1KMT2AAPEX1

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 PTPRC 817/4885PTPN2 2266/4885PTPN1 2633/4885

“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.