SCHEMBL7052847

SCHEMBL7052847

COCCOCc1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
PTPN2 P17706 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN6 P29350 1/20 0.43
CALM1 P0DP23 1/20 0.42
ESR1 P03372 4/20 0.42
ESR2 Q92731 2/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ABAT P80404 1/20 0.39
APP P05067 1/20 0.38
CA2 P00918 1/20 0.38
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TMEM97 Q5BJF2 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SLC6A2 P23975 1/20 0.38

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
SCHEMBL7055711 0.98 IDO1 (0.45) IDO1PTPN2PTPN1PTPN6CALM1
SCHEMBL842223 0.98 IDO1 (0.45) IDO1PTPN2PTPN1PTPN6CALM1
SCHEMBL7940753 0.86 IDO1 (0.54) IDO1PTPN2PTPN1PTPN6ESR1
SCHEMBL23145906 0.85 PTPN2 (0.42) PTPN2PTPN1PTPN6APPCA2
SCHEMBL18085581 0.84 PTPN2 (0.41) IDO1PTPN2PTPN1PTPN6APP
SCHEMBL19535071 0.83 PTPN2 (0.41) PTPN2PTPN1PTPN6APPCA2
SCHEMBL7606495 0.83 AGXT (0.50) IDO1PTPN2PTPN1PTPN6CA2
SCHEMBL3106528 0.83 IDO1 (0.50) IDO1PTPN2PTPN1PTPN6MEN1
SCHEMBL13316188 0.83 IDO1 (0.46) IDO1PTPN2PTPN1PTPN6CALM1
SCHEMBL22519873 0.81 IDO1 (0.48) IDO1PTPN2PTPN1PTPN6APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds STEWART ANDREW O (US) 2003-11-27 US disclosed
US-6579882-B2 Thieno(2,3-d)pyrimidine derivatives ABBOTT LABORATORIES 2003-06-17 US disclosed
EP-1181296-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2002-02-27 EP disclosed
CN-1332743-A Cell adhesion-inhibiting antinflammatory compounds ABBOTT CO (US) 2002-01-23 CN disclosed
US-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ABBVIE INC. 2001-09-06 US disclosed
US-6232320-B1 THIENO(2,3-C)PYRIDINE AND 5H-THIENO(2,3-C)PYRAN DERIATIVES ABBOTT LABORATORIES 2001-05-15 US disclosed
EP-1090009-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2001-04-11 EP disclosed
WO-2000075145-A1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 2000-12-14 WO disclosed
WO-1999062908-A2 CELL ADHESION-INHIBITING ANTINFLAMMATORY COMPOUNDS ABBOTT LABORATORIES (US) 1999-12-09 WO disclosed
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 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-20010020030-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM IDO1 2813/4885PTPN2 4007/4885PTPN1 3582/4885
US-20030220365-A1 Cell adhesion-inhibiting antiinflammatory compounds ICAM1, VCAM1, EPCAM IDO1 2813/4885PTPN2 4007/4885PTPN1 3582/4885

“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.