SCHEMBL5671982

SCHEMBL5671982

[O]c1ccc(C(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.67
MAPK1 P28482 1/20 0.67
HPGD P15428 1/20 0.57
CES2 O00748 3/20 0.56
CES1 P23141 3/20 0.56
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CNR1 P21554 1/20 0.50
CNR2 P34972 1/20 0.50
NR4A1 P22736 1/20 0.50
ELANE P08246 1/20 0.48
GSK3B P49841 2/20 0.48
FABP2 P12104 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
SLC22A12 Q96S37 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL9065412 0.89 SRD5A2 (0.80) SRD5A2MAPK1HPGDCES2CES1
SCHEMBL51827 0.89 SRD5A2 (0.80) SRD5A2MAPK1HPGDCES2CES1
SCHEMBL10697158 0.89 SRD5A2 (0.80) SRD5A2MAPK1HPGDCES2CES1
SCHEMBL1681512 0.89 SRD5A2 (0.80) SRD5A2MAPK1HPGDCES2CES1
SCHEMBL30010720 0.87 SRD5A2 (0.76) SRD5A2MAPK1HPGDCES2CES1
Hydrochloric Acid SCHEMBL11704986 0.87 SRD5A2 (0.76) SRD5A2MAPK1HPGDCES2CES1
SCHEMBL29985694 0.87 SRD5A2 (0.76) SRD5A2MAPK1HPGDCES2CES1
SCHEMBL8967156 0.82 SRD5A2 (0.70) SRD5A2MAPK1HPGDCES2CES1
SCHEMBL1681878 0.82 SRD5A2 (0.70) SRD5A2MAPK1HPGDCES2CES1
SCHEMBL12274592 0.82 SRD5A2 (0.70) SRD5A2MAPK1HPGDCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030064972-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2003-04-03 US claimed
EP-1276730-A2 THIAZOLIDINEDIONE ANALOGUES AND THEIR USE FOR THE TREATMENT OF DIABETES ARYx Therapeutics (US) 2003-01-22 EP claimed
WO-2001081328-A2 THIAZOLIDINEDIONE ANALOGUES AND THEIR USE FOR THE TREATMENT OF DIABETES ARYX THERAPEUTICS (US) 2001-11-01 WO claimed
US-7022722-B2 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis ARYX THERAPEUTICS, INC. (US) 2006-04-04 US disclosed
US-20060047000-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis ARYX THERAPEUTICS, INC. (US) 2006-03-02 US disclosed
US-6958355-B2 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis ARYX THERAPEUTICS, INC. (US) 2005-10-25 US disclosed
US-20050075379-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2005-04-07 US disclosed
US-20050037997-A9 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2005-02-17 US disclosed
US-6768008-B2 FOR THERAPY ARYX THERAPEUTICS 2004-07-27 US disclosed
EP-1430039-A2 ARYL DERIVATIVES FOR THE TREATMENT OF DIABETES, HYPERLIPIDEMIA, HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS Aryx Therapeutics (US) 2004-06-23 EP disclosed
US-6680387-B2 USING THIAZOLIDINONE COMPOUND ARYX THERAPEUTICS 2004-01-20 US disclosed
US-20030236227-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis ARYX THERAPEUTICS 2003-12-25 US disclosed
US-20030064972-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2003-04-03 US disclosed
WO-2003024943-A2 ARYL DERIVATIVES FOR THE TREATMENT OF DIABETES, HYPERLIPIDEMIA, HYPERCHOLESTEROLEMIA AND ATHEROSCLEROSIS ARYX THERAPEUTICS (US) 2003-03-27 WO disclosed
US-20030027798-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2003-02-06 US disclosed
EP-1276730-A2 THIAZOLIDINEDIONE ANALOGUES AND THEIR USE FOR THE TREATMENT OF DIABETES ARYx Therapeutics (US) 2003-01-22 EP disclosed
WO-2001081328-A2 THIAZOLIDINEDIONE ANALOGUES AND THEIR USE FOR THE TREATMENT OF DIABETES ARYX THERAPEUTICS (US) 2001-11-01 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 (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-20030236227-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP SRD5A2 312/4885MAPK1 4431/4885HPGD 441/4885
US-20030064972-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP SRD5A2 312/4885MAPK1 4431/4885HPGD 441/4885
US-20060047000-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP SRD5A2 312/4885MAPK1 4431/4885HPGD 441/4885
US-20030027798-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP SRD5A2 312/4885MAPK1 4431/4885HPGD 441/4885
US-20050037997-A9 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP SRD5A2 312/4885MAPK1 4431/4885HPGD 441/4885
US-20050075379-A1 Materials and methods for the treatment of diabetes, hyperlipidemia, hypercholesterolemia, and atherosclerosis LIPA, LIPC, CETP SRD5A2 312/4885MAPK1 4431/4885HPGD 441/4885

“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.