SCHEMBL2532655

SCHEMBL2532655

Nc1ccccc1-c1ccc(OCc2ccccc2)c(CCC(=O)O)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 10/20 0.61
PTGER3 P43115 10/20 0.61
PTGER1 P34995 9/20 0.61
PTGER2 P43116 9/20 0.61
FFAR1 O14842 4/20 0.51
FFAR4 Q5NUL3 3/20 0.51
MCL1 Q07820 1/20 0.46
CFD P00746 1/20 0.45
PLG P00747 1/20 0.45
PLAU P00749 1/20 0.45
F11 P03951 1/20 0.45
KLKB1 P03952 1/20 0.45
F7 P08709 1/20 0.45
TPSB2 P20231 1/20 0.45
TP53 P04637 1/20 0.45
MDM2 Q00987 1/20 0.45

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
SCHEMBL2535431 0.85 PTGER4 (0.64) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL3788152 0.79 APP (0.47) PTGER4PTGER3PTGER1PTGER2MCL1
SCHEMBL11312296 0.78 PTGER4 (0.65) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL2531052 0.78 PTGER4 (0.58) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL16294058 0.77 PTGER1 (0.64) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL12952669 0.77 PTGER4 (0.49) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL2534013 0.76 FFAR1 (0.56) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL3781528 0.76 APP (0.47) PTGER4PTGER3PTGER1PTGER2MCL1
SCHEMBL2038509 0.76 PTGER1 (0.67) PTGER4PTGER3PTGER1PTGER2FFAR1
SCHEMBL2534776 0.76 FFAR1 (0.56) PTGER4PTGER3PTGER1PTGER2FFAR1

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-8044236-B2 Inhibitors against plasminogen activator inhibitor-1 (PAI-1); anticoagulants; 2-(aryl or aralkyloxy-)-5-(aryl)phenyl}acetic acid (or derivatives of propionic acid, propenoic acid, N-oxamic acid or 1H-tetrazol-5-yl); occlusion, stenosis; low molecular weight; gene expression inhibition INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2011-10-25 US disclosed
EP-2080751-A1 CARBOXYLIC ACID DERIVATIVE Institute of Medicinal Molecular Design, Inc. (JP) 2009-07-22 EP disclosed
US-20080275116-A1 Carboxilic acid derivatives INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-11-06 US 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-20080275116-A1 Carboxilic acid derivatives SERPINE1, CTRL, SERPINC1 PTGER4 3046/4885PTGER3 2505/4885PTGER1 905/4885

“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.