SCHEMBL5008889

SCHEMBL5008889

CCCCCNn1c(C(=O)O)cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.50
DAO P14920 1/20 0.48
CCR2 P41597 3/20 0.46
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
PLA2G4A P47712 1/20 0.45
ASAH1 Q13510 1/20 0.44
CYP1A2 P05177 1/20 0.44
POLB P06746 1/20 0.44
CNR2 P34972 4/20 0.43
OXER1 Q8TDS5 4/20 0.43
CA12 O43570 1/20 0.42
CA9 Q16790 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
SCHEMBL5728166 0.81 MCL1 (0.50) MCL1DAOCCR2ALDH1A1TSHR
SCHEMBL8639593 0.78 MCL1 (0.47) MCL1DAOCCR2ALDH1A1TSHR
SCHEMBL6682164 0.76 ALDH1A1 (0.64) MCL1DAOCCR2ALDH1A1PLA2G4A
SCHEMBL9573317 0.76 EPHX2 (0.47) CCR2CNR2OXER1
SCHEMBL10762525 0.75 ALDH1A1 (0.63) MCL1DAOCCR2ALDH1A1PLA2G4A
SCHEMBL8242370 0.75 ALDH1A1 (0.63) MCL1DAOCCR2ALDH1A1PLA2G4A
SCHEMBL10757133 0.74 ALDH1A1 (0.66) MCL1DAOCCR2ALDH1A1TSHR
SCHEMBL10379817 0.73 DAO (0.59) MCL1DAOCCR2ALDH1A1TSHR
SCHEMBL9572911 0.73 CNR2 (0.45) MCL1CNR2OXER1
SCHEMBL4539369 0.73 MCL1 (0.50) MCL1DAOCCR2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332521-B2 Substituted indoles WYETH (US) 2008-02-19 US disclosed
CN-1890214-A Heterocyclic- or aryloxy, -thio or -amino substituted indoles-2-carboxylic acids or esters as pai-1 WYETH CORP (US) 2007-01-03 CN disclosed
EP-1667970-A1 HETEROCYCLIC- OR ARYLOXY, -THIO 0R -AMINO SUBSTITUTED INDOLES-2-CARBOXYLIC ACIDS OR ESTERS AS PAI-1 INHIBITORS Wyeth (US) 2006-06-14 EP disclosed
US-20050119327-A1 Substituted indoles WYETH (US) 2005-06-02 US disclosed
WO-2005030716-A1 HETEROCYCLIC- OR ARYLOXY, -THIO OR -AMINO SUBSTITUTED INDOLES-2-CARBOXYLIC ACIDS OR ESTERS AS PAI-1 WYETH (US) 2005-04-07 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-20050119327-A1 Substituted indoles IDO2, IDO1, TPH2 MCL1 941/4885DAO 103/4885CCR2 134/4885

“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.