SCHEMBL5089130

SCHEMBL5089130

N#Cc1ccc(OCc2ccccc2)c(CC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.53
MAOB P27338 1/20 0.51
PTGER1 P34995 3/20 0.50
PTGDR2 Q9Y5Y4 2/20 0.50
PTGER4 P35408 2/20 0.50
PTGER3 P43115 2/20 0.50
PTGER2 P43116 2/20 0.50
CFD P00746 1/20 0.49
PLG P00747 1/20 0.49
PLAU P00749 1/20 0.49
F11 P03951 1/20 0.49
KLKB1 P03952 1/20 0.49
F7 P08709 1/20 0.49
TPSB2 P20231 1/20 0.49
FFAR4 Q5NUL3 2/20 0.47
FFAR1 O14842 1/20 0.47
PPIA P62937 1/20 0.47
XDH P47989 1/20 0.46
ELANE P08246 3/20 0.44
F2 P00734 1/20 0.44

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
Hydrochloric Acid SCHEMBL5098921 0.99 MRGPRX4 (0.52) MRGPRX4MAOBPTGER1PTGDR2PTGER4
SCHEMBL5098912 0.90 MRGPRX4 (0.54) MRGPRX4MAOBPTGER1PTGDR2FFAR4
SCHEMBL6332053 0.87 MRGPRX4 (0.52) MRGPRX4MAOBPTGER1PTGDR2PPIA
SCHEMBL17764541 0.85 CFD (0.70) MRGPRX4PTGER1PTGDR2PTGER4PTGER3
SCHEMBL6554874 0.85 MAOB (0.55) MRGPRX4MAOBPTGER1PTGDR2PPIA
SCHEMBL1978691 0.85 MAOB (0.55) MRGPRX4MAOBPTGER1PTGDR2PPIA
SCHEMBL8676493 0.82 MAOB (0.55) MRGPRX4MAOBPTGER1PTGDR2PPIA
SCHEMBL8409660 0.82 HTR1A (0.59) MRGPRX4MAOBPTGER1FFAR4FFAR1
SCHEMBL6212565 0.82 MAOB (0.55) MRGPRX4MAOBPTGER1PPIA
SCHEMBL7369714 0.81 LTA4H (0.51) MRGPRX4MAOBPTGER1PTGDR2PPIA

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-7425641-B2 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA KG (DE) 2008-09-16 US 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-6838565-B2 Substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-01-04 US disclosed
US-20040138309-A1 Novel substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM (DE) 2004-07-15 US disclosed
EP-1206446-B1 CARBOXYLIC ACID AMIDES, THEIR PRODUCTION AND THEIR USE AS DRUGS BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-26 EP disclosed
US-20040077729-A1 New carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-04-22 US disclosed
WO-2004013128-A1 NOVEL SUBSTITUTED BENZAMIDES PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM (DE) 2004-02-12 WO disclosed
EP-1370540-A1 ANTI-THROMBOTIC CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-12-17 EP disclosed
EP-1360170-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-11-12 EP disclosed
US-20020183519-A1 Antithrombotic carboxylic acid amides BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-12-05 US disclosed
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-10-17 US disclosed
WO-2002072558-A1 ANTI-THROMBOTIC CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-09-19 WO disclosed
WO-2002062748-A1 CARBOXYLIC AMIDES, THE PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 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 (5 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-20040138309-A1 Novel substituted benzoic acid amides, their preparation and their use as pharmaceutical compositions F11, F12, SERPINC1 MRGPRX4 2604/4885MAOB 445/4885PTGER1 86/4885
US-20020183519-A1 Antithrombotic carboxylic acid amides SERPINC1, TFPI, F2 MRGPRX4 2438/4885MAOB 743/4885PTGER1 299/4885
US-20040077729-A1 New carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F2, F11, F12 MRGPRX4 2054/4885MAOB 417/4885PTGER1 226/4885
US-20050065346-A1 Carboxylic acid amides, the preparation thereof and their use as pharmaceutical compositions F12, F11, F2 MRGPRX4 1925/4885MAOB 164/4885PTGER1 218/4885
US-20020151595-A1 Carboxylic acid amides having antithrombotic activity SERPINC1, TFPI, F2 MRGPRX4 3149/4885MAOB 1337/4885PTGER1 217/4885

“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.