SCHEMBL210686

SCHEMBL210686

CC(C)(C)c1csc(-c2cc3cc(OCc4ccccc4CC(=O)O)ccc3o2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 4/20 0.42
PPARA Q07869 3/20 0.42
PTGER4 P35408 3/20 0.40
SLC26A4 O43511 2/20 0.39
CYP26A1 O43174 1/20 0.39
CYP26B1 Q9NR63 1/20 0.39
PPARG P37231 1/20 0.39
F2RL3 Q96RI0 1/20 0.38
CFD P00746 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
S1PR1 P21453 1/20 0.37
CYP4A11 Q02928 1/20 0.36
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL29623656 1.00 PPARD (0.42) PPARDPPARAPTGER4SLC26A4CYP26A1
Hydrochloric Acid SCHEMBL1224090 0.99 PPARD (0.41) PPARDPPARAPTGER4SLC26A4CYP26A1
SCHEMBL8310811 0.91 PTGER4 (0.42) PPARDPPARAPTGER4SLC26A4PPARG
SCHEMBL8314225 0.89 SLC26A4 (0.38) PPARDPPARAPTGER4SLC26A4F2RL3
SCHEMBL8316517 0.89 BCL2 (0.43) PTGER4SLC26A4F2RL3KMT2AMEN1
SCHEMBL8314208 0.87 F2RL3 (0.36) PTGER4SLC26A4F2RL3KMT2AMEN1
SCHEMBL9061589 0.86 F2RL3 (0.35) PPARDPPARAPTGER4SLC26A4F2RL3
SCHEMBL8310775 0.86 MAOB (0.42) SLC26A4F2RL3KMT2AHDAC6
SCHEMBL8311549 0.85 PTGER4 (0.40) PPARDPPARAPTGER4SLC26A4
SCHEMBL8310234 0.85 SLC26A4 (0.36) PTGER4SLC26A4F2RL3KMT2AMEN1

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 784 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898894-A1 MRP IV INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2008-03-19 EP claimed
EP-1781298-A1 PHARMACEUTICAL COMBINATIONS CONTAINING BENZOXAZINE FOR TREATING RESPIRATORY DISEASES Boehringer Ingelheim International GmbH (DE) 2007-05-09 EP claimed
US-20070037781-A1 Novel combinations of medicaments for the treatment of respiratory diseases containing long-acting beta-agonists and at least one additional active ingredient BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-15 US claimed
US-20060286041-A1 MRP IV INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-21 US claimed
WO-2006134022-A1 MRP IV INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-21 WO claimed
EP-1071463-B1 METHODS AND COMPOSITIONS USING TERFENADINE METABOLITES IN COMBINATION WITH LEUKOTRIENE INHIBITORS SEPRACOR INC (US) 2006-06-07 EP claimed
WO-2005102349-A1 PHARMACEUTICAL COMBINATIONS CONTAINING BENZOXAZINE FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-03 WO claimed
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2005-10-27 US claimed
US-20050147564-A1 A liquid, propellant-free mixtures for treating asthma or chronic obstructive pulmonary disease; tiotropium bromide BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-07-07 US claimed
US-6890517-B2 Inhalable formulation of a solution containing a tiotropium salt BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-05-10 US claimed
US-20030181478-A1 A liquid, propellant-free mixtures for treating asthma or chronic obstructive pulmonary disease; tiotropium bromide BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-09-25 US claimed
EP-1335729-A2 INHALATIVE SOLUTION FORMULATION CONTAINING A TIOTROPIUM SALT Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2003-08-20 EP claimed
US-20020137764-A1 .0005-5 wt% of a tiotropium salt, an antiallergic, antihistamine, steroid, or leukotriene antagonist, water or water/ethanol mixture and a preservative; antiasthmatics and chronic obstructive pulmonary disease treatment BOEHRINGER INGELHEIM PHARMA KG (DE) 2002-09-26 US claimed
WO-2002036591-A2 INHALATIVE SOLUTION FORMULATION CONTAINING A TIOTROPIUM SALT BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-05-10 WO claimed
EP-0528337-B1 New thiazolylbenzofuran derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1999-10-20 EP claimed
US-5296495-A Antiallergens, antiinflammatory FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 US claimed
JP-10316678-A None JP disclosed
EP-3643309-B1 NINTEDANIB FOR USE IN THE TREATMENT OF SYSTEMIC SCLERODERMA BOEHRINGER INGELHEIM INT (DE) 2025-12-03 EP disclosed
US-5296495-A Antiallergens, antiinflammatory FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-03-22 US disclosed
EP-0528337-A1 New thiazolylbenzofuran derivatives, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-24 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 (6 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-20050147564-A1 A liquid, propellant-free mixtures for treating asthma or chronic obstructive pulmonary disease; tiotropium bromide LTA4H, LTB4R, LTB4R2 PPARD 246/4885PPARA 176/4885PTGER4 19/4885
US-20070037781-A1 Novel combinations of medicaments for the treatment of respiratory diseases containing long-acting beta-agonists and at least one additional active ingredient ADRB2, ADRA2A, ADRB1 PPARD 514/4885PPARA 478/4885PTGER4 84/4885
US-20020137764-A1 .0005-5 wt% of a tiotropium salt, an antiallergic, antihistamine, steroid, or leukotriene antagonist, water or water/ethanol mixture and a preservative; antiasthmatics and chronic obstructive pulmonary disease treatment LTA4H, IL5, LTB4R PPARD 281/4885PPARA 227/4885PTGER4 18/4885
US-20060286041-A1 MRP IV INHIBITORS FOR THE TREATMENT OF RESPIRATORY DISEASES ABCB1, ABCC4, ABCC1 PPARD 1082/4885PPARA 1764/4885PTGER4 321/4885
US-20050239778-A1 Novel medicament combinations for the treatment of respiratory diseases MRGPRX2, MRGPRX1, MTNR1B PPARD 1249/4885PPARA 1294/4885PTGER4 127/4885
US-20030181478-A1 A liquid, propellant-free mixtures for treating asthma or chronic obstructive pulmonary disease; tiotropium bromide LTA4H, LTB4R, LTB4R2 PPARD 246/4885PPARA 176/4885PTGER4 19/4885

“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.