SCHEMBL4595546

SCHEMBL4595546

N#Cc1cc(Cl)ccc1OCC(=O)O

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 15/20 0.68
TDP1 Q9NUW8 2/20 0.64
CYP2C9 P11712 1/20 0.63
MAPT P10636 1/20 0.59
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.57

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
SCHEMBL4241405 0.91 TDP1 (0.59) PTGDR2TDP1CYP2C9MAPTHPGD
SCHEMBL1853203 0.86 PTGDR2 (0.51) PTGDR2TDP1CYP2C9MAPT
SCHEMBL1371792 0.84 PTGDR2 (0.68) PTGDR2TDP1CYP2C9MAPTTSHR
SCHEMBL4574442 0.84 NPC1 (0.56) PTGDR2TDP1CYP2C9MAPTHPGD
SCHEMBL3951141 0.83 PTGDR2 (0.67) PTGDR2CYP2C9HPGD
SCHEMBL4145739 0.82 HPGD (0.53) PTGDR2TDP1CYP2C9MAPTHPGD
SCHEMBL12145499 0.82 PTGDR2 (0.72) PTGDR2CYP2C9
SCHEMBL2495570 0.81 ALDH1A1 (0.52) PTGDR2TDP1CYP2C9HPGDTSHR
SCHEMBL4200563 0.81 ALDH1A1 (0.66) PTGDR2HPGD
SCHEMBL2947402 0.81 PTGDR2 (0.56) PTGDR2TDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 US disclosed
US-7605158-B2 Carbamoyl-type benzofuran derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-20 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-20080269239-A1 Pyrimidine Compounds as Histamine Modulators ARGENTA DISCOVERY LTD. (GB) 2008-10-30 US disclosed
US-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders CELLZOME (UK) LTD. (GB) 2008-10-23 US disclosed
EP-1945646-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Cellzome (UK) Ltd. (GB) 2008-07-23 EP disclosed
EP-1812113-A1 PYRIMIDINE COMPOUNDS AS HISTAMINE MODULATORS Argenta Discovery Limited (GB) 2007-08-01 EP disclosed
EP-1776982-A1 Pyrimidine compounds as histamine modulators Argenta Discovery Limited (GB) 2007-04-25 EP disclosed
WO-2007039467-A1 PYRIMIDINE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS CELLZOME (UK) LTD. (GB) 2007-04-12 WO disclosed
EP-1767537-A1 Pyrimidine compounds for the treatment of inflammatory disorders Cellzome (UK) Ltd. (GB) 2007-03-28 EP disclosed
WO-2006050965-A1 PYRIMIDINE COMPOUNDS AS HISTAMINE MODULATORS ARGENTA DISCOVERY LTD (GB) 2006-05-18 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 (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-20080261946-A1 Pyrimidine Compounds for the Treatment of Inflammatory Disorders HRH4, HRH3, HRH2 PTGDR2 346/4885TDP1 858/4885CYP2C9 2888/4885
US-20080269239-A1 Pyrimidine Compounds as Histamine Modulators HRH4, HRH3, HRH2 PTGDR2 628/4885TDP1 1569/4885CYP2C9 3839/4885
US-20090209511-A1 Benzofuran Derivatives F12, F2, F3 PTGDR2 2108/4885TDP1 3593/4885CYP2C9 100/4885

“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.