SCHEMBL3046012

SCHEMBL3046012

O=C(O)COc1ccc(I)cc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.54
PKM P14618 1/20 0.49
TDP1 Q9NUW8 3/20 0.47
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
HTT P42858 1/20 0.44
AKR1B1 P15121 1/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 2/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PTPRC P08575 1/20 0.42
PTPN2 P17706 1/20 0.42
PTPN1 P18031 1/20 0.42
PTPRA P18433 1/20 0.42
PTPRB P23467 1/20 0.42
PTPRE P23469 1/20 0.42
PTPN6 P29350 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL22164333 0.84 PTGDR2 (0.49) PTGDR2PKMTDP1HTTAKR1B1
SCHEMBL20522189 0.83 TSHR (0.56) KDM4ETSHRPOLBL3MBTL1PTPRC
SCHEMBL5833932 0.82 TDP1 (0.50) PTGDR2PKMTDP1MAPTTSHR
SCHEMBL8528987 0.81 PTGDR2 (0.55) PTGDR2PKMTDP1MAPTTSHR
SCHEMBL3044855 0.81 PTGDR2 (0.79) PTGDR2PKMTDP1KDM4EAKR1B1
SCHEMBL8478888 0.80 PTPN11 (0.51) MAPTKDM4ETSHRPTPN1PTPN6
SCHEMBL4138843 0.79 PKM (0.71) PTGDR2PKMTDP1KDM4EHTT
SCHEMBL4143335 0.79 TDP1 (0.70) PTGDR2TDP1MAPTKDM4ETSHR
SCHEMBL16742721 0.79 TDP1 (0.70) PTGDR2PKMTDP1MAPTAKR1B1
SCHEMBL13616955 0.79 PTGDR2 (0.54) PTGDR2PKMTDP1MAPTKDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100003191-A1 AURONE DERIVATIVE-CONTAINING COMPOSITION FOR DIAGNOSIS NAGASAKI UNIVERSITY (JP) 2010-01-07 US disclosed
EP-2113258-A1 AURONE DERIVATIVE-CONTAINING COMPOSITION FOR DIAGNOSIS Nagasaki University (JP) 2009-11-04 EP disclosed
EP-2113258-A1 AURONE DERIVATIVE-CONTAINING COMPOSITION FOR DIAGNOSIS Nagasaki University (JP) 2009-11-04 EP disclosed
US-7405299-B2 Compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2008-07-29 US disclosed
US-20060058295-A1 Novel compounds as pharmaceutical agents ELI LILLY AND COMPANY (US) 2006-03-16 US disclosed
EP-1567527-A1 CONDENSED PYRAZOLO DERIVATIVES ELI LILLY AND COMPANY (US) 2005-08-31 EP disclosed
WO-2004050659-A1 NOVEL COMPOUNDS AS PHARMACEUTICAL AGENTS ELI LILLY AND COMPANY (US) 2004-06-17 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 (2 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-20060058295-A1 Novel compounds as pharmaceutical agents TGFB1, TGFB2, TGFBR1 PTGDR2 1078/4885PKM 1983/4885TDP1 3300/4885
US-20100003191-A1 AURONE DERIVATIVE-CONTAINING COMPOSITION FOR DIAGNOSIS APP, APBA1, BACE1 PTGDR2 4234/4885PKM 3908/4885TDP1 1712/4885

“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.