SCHEMBL1782474

SCHEMBL1782474

Cc1c(Cc2cnc3ccccc3n2)c2cc(F)ccc2n1CC(=O)O

nearest known ligand 0.77

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 20/20 0.77
PTGDR Q13258 2/20 0.77
PTGIR P43119 1/20 0.77
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C8 P10632 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2A6 P11509 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2B6 P20813 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
Timapiprant SCHEMBL29379400 0.87 PTGDR2 (1.00) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
Timapiprant SCHEMBL29648518 0.87 PTGDR2 (1.00) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
Timapiprant SCHEMBL1782956 0.87 PTGDR2 (1.00) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
SCHEMBL1785944 0.85 PTGDR2 (0.73) PTGDR2PTGDRPTGIR
SCHEMBL1782585 0.83 PTGDR2 (0.72) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
SCHEMBL1786702 0.82 PTGDR2 (0.85) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
SCHEMBL3992756 0.82 PTGDR2 (0.70) PTGDR2PTGDRPTGIRCYP1A2CYP3A4
SCHEMBL4761775 0.81 PTGDR2 (0.79) PTGDR2PTGDRPTGIR
SCHEMBL2090561 0.79 PTGDR2 (1.00) PTGDR2PTGDRPTGIR
SCHEMBL1785945 0.79 PTGDR2 (0.67) PTGDR2PTGDRPTGIRCYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11833120-B2 Binding protein drug conjugates comprising anthracycline derivatives NBE-THERAPEUTICS AG (CH) 2023-12-05 US claimed
US-20210322561-A1 BINDING PROTEIN DRUG CONJUGATES COMPRISING ANTHRACYCLINE DERIVATIVES NBE-THERAPEUTICS AG (CH) 2021-10-21 US claimed
EP-3083557-B1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS ATOPIX THERAPEUTICS LTD (GB) 2017-11-29 EP claimed
US-9828359-B2 Process for the preparation of 3-substituted (indol-1-yl)-acetic acid esters ATOPIX THERAPEUTICS LIMITED (GB) 2017-11-28 US claimed
US-20170305879-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS ZACH SYSTEM SPA (IT) 2017-10-26 US claimed
EP-3083557-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS Atopix Therapeutics Limited (GB) 2016-10-26 EP claimed
WO-2015092372-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS ATOPIX THERAPEUTICS LIMITED (GB) 2015-06-25 WO claimed
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis ATOPIX THERAPEUTICS LTD (GB) 2014-11-06 US claimed
EP-2790696-A1 COMBINATION OF CRTH2 ANTAGONIST AND A PROTON PUMP INHIBITOR FOR THE TREATMENT OF EOSINOPHILIC ESOPHAGITIS Atopix Therapeutics Limited (GB) 2014-10-22 EP claimed
WO-2013088109-A1 COMBINATION OF CRTH2 ANTAGONIST AND A PROTON PUMP INHIBITOR FOR THE TREATMENT OF EOSINOPHILIC ESOPHAGITIS OXAGEN LIMITED (GB) 2013-06-20 WO claimed
EP-2219645-A2 USE OF CRTH2 ANTAGONIST COMPOUNDS Oxagen Limited (GB) 2010-08-25 EP claimed
US-7582672-B2 Compounds for the treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2009-09-01 US claimed
WO-2009063215-A2 USE OF CRTH2 ANTAGONIST COMPOUNDS OXAGEN LIMITED (GB) 2009-05-22 WO claimed
WO-2009063202-A2 USE OF CRTH2 ANTAGONIST COMPOUNDS OXAGEN LIMITED (GB) 2009-05-22 WO claimed
US-20090018138-A1 Treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2009-01-15 US claimed
US-20090018139-A1 Treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2009-01-15 US claimed
US-20080214552-A1 Substituted Pyridazinecarboxamides and Derivatives Thereof BAYER CROPSCIENCE AG (DE) 2008-09-04 US claimed
US-20050119268-A1 Treatment of CRTH2-mediated diseases and conditions OXAGEN LIMITED (GB) 2005-06-02 US claimed
EP-0778880-B1 IMPROVED PROTEOLYTIC ENZYME CLEANER ECOLAB INC (US) 1998-10-14 EP claimed
EP-0377616-B1 COAL ASH MODIFICATION AND REDUCTION COMMW SCIENT IND RES ORG (AU) 1994-05-11 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20080214552-A1 Substituted Pyridazinecarboxamides and Derivatives Thereof PFAS, CYP4Z1, CYP4F12 PTGDR2 1403/4885PTGDR 2120/4885PTGIR 2396/4885
US-11833120-B2 Binding protein drug conjugates comprising anthracycline derivatives ABCC1, ABCB1, ABCC2 PTGDR2 2437/4885PTGDR 2836/4885PTGIR 3118/4885
US-20210322561-A1 BINDING PROTEIN DRUG CONJUGATES COMPRISING ANTHRACYCLINE DERIVATIVES ABCC1, BCR, ABCC2 PTGDR2 2490/4885PTGDR 3029/4885PTGIR 4300/4885
US-20090018138-A1 Treatment of CRTH2-mediated diseases and conditions PTGDR2, PTGER2, PTGES2 PTGDR2 1/4885PTGDR 4/4885PTGIR 18/4885
US-20050119268-A1 Treatment of CRTH2-mediated diseases and conditions PTGDR2, PTGER2, PTGES2 PTGDR2 1/4885PTGDR 4/4885PTGIR 18/4885
US-20090018139-A1 Treatment of CRTH2-mediated diseases and conditions PTGDR2, PTGER2, PTGES2 PTGDR2 1/4885PTGDR 4/4885PTGIR 18/4885
US-20140328861-A1 Combination of CRTH2 Antagonist and a Proton Pump Inhibitor for the Treatment of Eosinophilic Esophagitis HRH2, HRH1, HRH4 PTGDR2 59/4885PTGDR 108/4885PTGIR 156/4885
US-20170305879-A1 PROCESS FOR THE PREPARATION OF 3-SUBSTITUTED (INDOL-1-YL)-ACETIC ACID ESTERS IDO1, IDO2, SI PTGDR2 1790/4885PTGDR 1547/4885PTGIR 2286/4885

“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.