SCHEMBL2537007

SCHEMBL2537007

O=C(O)C(OCc1ccccc1)c1cccc(Br)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
SLC1A3 P43003 2/20 0.44
SLC1A2 P43004 2/20 0.44
SLC1A1 P43005 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
HCAR2 Q8TDS4 1/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
GLA P06280 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL548140 0.91 FFAR1 (0.54) MAOBMRGPRX4FFAR1FFAR4PTGES
SCHEMBL15610228 0.85 KYNU (0.50) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL1586340 0.84 SLC1A3 (0.54) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL9077243 0.82 MEN1 (0.49) SLC1A3SLC1A2SLC1A1KMT2AMEN1
SCHEMBL547303 0.80 LTA4H (0.51) MAOBMRGPRX4SMN1; SMN2FFAR1FFAR4
SCHEMBL8009506 0.80 MTNR1A (0.55) MAOBKMT2AMRGPRX4SMN1; SMN2FFAR1
SCHEMBL5089141 0.79 FFAR1 (0.48) MAOBSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL15610225 0.79 KYNU (0.43) SLC1A3SLC1A2SLC1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL5098915 0.78 FFAR1 (0.47) MAOBSLC1A3SLC1A2SLC1A1KMT2A
SCHEMBL1947237 0.77 MAOB (0.50) MAOBIDO1TDO2RAB9AALDH1A1

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 11 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
US-7425641-B2 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-09-16 US disclosed
EP-0752421-B1 Ortho-substituted aromatic compounds, containing three (het)aryl moieties, their preparation and their use as prostaglandin E2-(PGE2)-antagonists ASTRAZENECA AB (SE) 2005-10-12 EP disclosed
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-03-24 US disclosed
US-6787562-B2 ANALGESICS; OSTEOPOROSIS ZENECA LTD. (GB) 2004-09-07 US disclosed
US-20030139418-A1 Substituted aryl and heteroaryl compounds as E-type prostaglandin antagonists SYNGENTA LIMITED (GB) 2003-07-24 US disclosed
US-6057345-A ANTAGONISTS OF THE PAIN ENHANCING EFFECTS OF E-TYPE PROSTAGLANDINS; USED IN PAIN RELIEF ZENECA LIMITED (GB) 2000-05-02 US disclosed
US-5834468-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC AGENTS, ANALGESICS TREATING RHEUMATIC DISEASE, BONE DISORDER, INJURIES ZENECA LIMITED (GB) 1998-11-10 US disclosed
EP-0752421-A1 Ortho-substituted aromatic compounds, containing three (het)aryl moieties, their preparation and their use as prostaglandin E2-(PGE2)-antagonists ZENECA LIMITED (GB) 1997-01-08 EP 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 (3 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-20030139418-A1 Substituted aryl and heteroaryl compounds as E-type prostaglandin antagonists PTGER1, PTGDR, PTGER2 MAOB 506/4885SLC1A3 2882/4885SLC1A2 2064/4885
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F12, F11, F2 MAOB 164/4885SLC1A3 1771/4885SLC1A2 1521/4885
US-20080275116-A1 Carboxilic acid derivatives SERPINE1, CTRL, SERPINC1 MAOB 610/4885SLC1A3 3673/4885SLC1A2 4042/4885

“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.