SCHEMBL5200582

SCHEMBL5200582

CC(C)(c1ccc(O)cc1)c1ccc(OCc2cccc(COc3ccc(C(=N)NCCC(=O)O)cc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.46
PTPN1 P18031 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.45
F2 P00734 2/20 0.44
FFAR1 O14842 4/20 0.43
FFAR4 Q5NUL3 3/20 0.43
NR4A2 P43354 2/20 0.43
MAOB P27338 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
GRM5 P41594 1/20 0.42
SPHK2 Q9NRA0 2/20 0.42
SPHK1 Q9NYA1 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL4314299 0.85 PTPRC (0.49) PTPRCPTPN1MRGPRX4F2NR4A2
Hydrochloric Acid SCHEMBL6334189 0.85 F2 (0.48) PTPRCPTPN1MRGPRX4F2NR4A2
Amelubant SCHEMBL1891670 0.80 GRM5 (0.45) PTPRCPTPN1MRGPRX4F2NR4A2
Amelubant SCHEMBL29359085 0.80 GRM5 (0.45) PTPRCPTPN1MRGPRX4F2NR4A2
SCHEMBL4999957 0.78 F2 (0.72) F2
SCHEMBL31506335 0.78 F2 (0.72) F2
SCHEMBL6354816 0.78 PTPRC (0.46) PTPRCPTPN1MRGPRX4F2FFAR1
Hydrochloric Acid SCHEMBL6557386 0.77 F2 (0.73) F2
SCHEMBL668003 0.77 PTPRC (0.46) PTPRCPTPN1MRGPRX4F2NR4A2
Hydrochloric Acid SCHEMBL7631983 0.76 F2 (0.46) PTPRCPTPN1MRGPRX4F2NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682086-A2 PHARMACEUTICAL FORMULATION CONTAINING AN LTB4 ANTAGONIST, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF Boehringer Ingelheim International GmbH (DE) 2006-07-26 EP claimed
US-20050129768-A1 Pharmaceutical formulation containing an LTB4-antagonist, as well as processes for the preparation thereof and the use thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-16 US claimed
WO-2005041855-A2 PHARMACEUTICAL FORMULATION CONTAINING AN LTB4 ANTAGONIST, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-05-12 WO claimed
EP-1818047-A2 Oral administration form for difficulty soluble basic active ingredients Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-08-15 EP disclosed
US-20050129768-A1 Pharmaceutical formulation containing an LTB4-antagonist, as well as processes for the preparation thereof and the use thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-06-16 US disclosed
US-20050095293-A1 Administration form for the oral application of poorly soluble drugs BOEHRINGER INGELHEIM PHARMA GMBH CO. KG (DE) 2005-05-05 US disclosed
EP-1499298-A1 ORAL ADMINISTRATION FORM FOR DIFFICULTY SOLUBLE BASIC ACTIVE INGREDIENTS WHICH ARE APPLIED ORALLY Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2005-01-26 EP disclosed
WO-2003074032-A1 ORAL ADMINISTRATION FORM FOR DIFFICULTY SOLUBLE BASIC ACTIVE INGREDIENTS WHICH ARE APPLIED ORALLY BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2003-09-12 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-20050129768-A1 Pharmaceutical formulation containing an LTB4-antagonist, as well as processes for the preparation thereof and the use thereof LTB4R, LTB4R2, LTA4H PTPRC 3233/4885PTPN1 1940/4885MRGPRX4 39/4885

“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.