SCHEMBL2073041

SCHEMBL2073041

O=C(O)[C@@H]1Cc2cccc(S(=O)(=O)Cl)c2C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.46
MCL1 Q07820 4/20 0.36
KMT2A Q03164 1/20 0.35
TBXA2R P21731 2/20 0.34
S1PR5 Q9H228 1/20 0.33
NOS3 P29474 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C1 Q04828 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
MMP3 P08254 1/20 0.32
MMP8 P22894 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL2073043 1.00 PPARD (0.46) PPARDMCL1KMT2ATBXA2RS1PR5
SCHEMBL2073038 1.00 PPARD (0.46) PPARDMCL1KMT2ATBXA2RS1PR5
SCHEMBL12828067 0.84 PPARD (0.48) PPARDMCL1KMT2AS1PR5AKR1C3
SCHEMBL1471222 0.82 KMT2A (0.41) PPARDKMT2ACA12CA1CA2
SCHEMBL4740697 0.82 KMT2A (0.41) PPARDKMT2ACA12CA1CA2
SCHEMBL1470495 0.82 KMT2A (0.41) PPARDKMT2ACA12CA1CA2
SCHEMBL12749903 0.81 PPARD (0.46) PPARDMCL1KMT2AS1PR5GAA
SCHEMBL4020417 0.78 NOS3 (0.43) PPARDKMT2ANOS3AKR1C3AKR1C1
SCHEMBL27765587 0.76
SCHEMBL1471127 0.74 PPARD (0.50) PPARDKMT2AAKR1C3NOTUMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9463189-B2 Sulfonyl-substituted bicyclic compounds as PPAR modulators for the treatment of non-alcoholic steatohepatitis BPV HOLDINGS, LLC (US) 2016-10-11 US disclosed
US-20130252970-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF NON-ALCOHOLIC STEATOHEPATITIS KALYPSYS, INC. (US) 2013-09-26 US disclosed
US-7863276-B2 Salts of modulators of PPAR and methods of treating metabolic disorders KALYPSYS, INC (US) 2011-01-04 US disclosed
WO-2008091863-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF NON-ALCOHOLIC STEATOHEPATITIS KALYPSYS, INC. (US) 2008-07-31 WO disclosed
US-20080176861-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF NON-ALCOHOLIC STEATOHEPATITIS KALYPSYS, INC. (US) 2008-07-24 US disclosed
EP-1940815-A1 SALTS OF MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS Kalypsys, Inc. (US) 2008-07-09 EP disclosed
WO-2008043024-A2 ORAL PHARMACEUTICAL FORMULATION COMPRISING A SULFONYL BICYCLIC MODULATOR OF PPAR FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-04-10 WO disclosed
US-20080004281-A1 METHODS FOR THE MODULATION OF CRP BY THE SELECTIVE MODULATION OF PPAR DELTA KALYPSYS, INC. (US) 2008-01-03 US disclosed
US-20070249519-A1 METHODS FOR THE UPREGULATION OF GLUT4 VIA MODULATION OF PPAR DELTA IN ADIPOSE TISSUE AND FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2007-10-25 US disclosed
WO-2007051095-A1 SALTS OF MODULATORS OF PPAR AND METHODS OF TREATING METABOLIC DISORDERS KALYPSYS, INC. (US) 2007-05-03 WO disclosed
US-20070093504-A1 Salts of Modulators Of PPAR and Methods of Treating Metabolic Disorders KALYAPSYS, INC. (US) 2007-04-26 US 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 (5 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-20070093504-A1 Salts of Modulators Of PPAR and Methods of Treating Metabolic Disorders PPARG, PPARA, PPARD PPARD 3/4885MCL1 3085/4885KMT2A 3530/4885
US-20080176861-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF NON-ALCOHOLIC STEATOHEPATITIS PPARD, PPARG, PPARA PPARD 1/4885MCL1 4554/4885KMT2A 2765/4885
US-20070249519-A1 METHODS FOR THE UPREGULATION OF GLUT4 VIA MODULATION OF PPAR DELTA IN ADIPOSE TISSUE AND FOR THE TREATMENT OF DISEASE FABP4, PPARG, PPARA PPARD 6/4885MCL1 4816/4885KMT2A 4387/4885
US-20080004281-A1 METHODS FOR THE MODULATION OF CRP BY THE SELECTIVE MODULATION OF PPAR DELTA PPARD, PPARA, PPARG PPARD 1/4885MCL1 3907/4885KMT2A 4191/4885
US-20130252970-A1 SULFONYL-SUBSTITUTED BICYCLIC COMPOUNDS AS PPAR MODULATORS FOR THE TREATMENT OF NON-ALCOHOLIC STEATOHEPATITIS PPARD, PPARG, PPARA PPARD 1/4885MCL1 4554/4885KMT2A 2765/4885

“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.