SCHEMBL5698676

SCHEMBL5698676

CS(=O)(=O)Oc1ccc(CCCS(=O)(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 6/20 0.48
PPARG P37231 3/20 0.47
S1PR1 P21453 2/20 0.41
S1PR2 O95136 1/20 0.41
S1PR3 Q99500 1/20 0.41
CALM1 P0DP23 1/20 0.39
LTA4H P09960 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP7 P09237 1/20 0.38
MMP9 P14780 1/20 0.38
MMP14 P50281 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
STS P08842 1/20 0.37

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
SCHEMBL5994194 0.95 PPARA (0.50) PPARAPPARGS1PR1S1PR2S1PR3
SCHEMBL10572189 0.83 CALM1 (0.58) CALM1ALDH1A1
SCHEMBL5991853 0.81 FAAH (0.42) PPARAPPARG
SCHEMBL3655208 0.81 CA2 (0.53) PPARAPPARGALDH1A1KDM4EGAA
SCHEMBL7040955 0.80 S1PR1 (0.50) S1PR1S1PR2S1PR3LTA4HALDH1A1
SCHEMBL7208039 0.80 PPARA (0.45) PPARAPPARGS1PR1S1PR3LTA4H
SCHEMBL10181185 0.79 CA2 (0.54) PPARAPPARGALDH1A1KDM4EGAA
SCHEMBL5542632 0.79 PPARA (0.47) PPARAPPARGCALM1MMP1MMP2
SCHEMBL5994202 0.79 PPARA (0.49) PPARAPPARGMMP1MMP2MMP7
SCHEMBL31497792 0.79 MMP2 (0.41) PPARAPPARGMMP1MMP2MMP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060173204-A1 New 3-aryl propionic acid derivatives and analogs ANDERSSON KJELL 2006-08-03 US disclosed
EP-1492764-B1 PROCESS ASTRAZENECA AB (SE) 2006-06-28 EP disclosed
US-20060040979-A1 3-Aryl-2-hydroxypropionic acid derivative I ANDERSSON KJELL 2006-02-23 US disclosed
US-20050215808-A1 New process ASTRAZENECA AB (SE) 2005-09-29 US disclosed
US-20050014955-A1 Process for the preapartion 3-aryl-2-hydroxypropionic acid derivative ASTRAZENECA AB (SE) 2005-01-20 US disclosed
EP-1492764-A2 NEW PROCESS AstraZeneca AB (SE) 2005-01-05 EP disclosed
US-20040229949-A1 New 3-aryl propionic acid derivatives and analogs ANDERSSON KJELL (SE) 2004-11-18 US disclosed
US-20040229946-A1 New 3-aryl-2-hydroxypropionic acid derivative I ANDERSSON KJELL (SE) 2004-11-18 US disclosed
EP-1237857-B1 NEW PHENALKYLOXY-PHENYL DERIVATIVES ASTRAZENECA AB (SE) 2004-06-30 EP disclosed
US-6750252-B2 FOR USE IN CLINICAL CONDITIONS ASSOCIATED WITH INSULIN RESISTANCE ASTRAZENECA AB (SE) 2004-06-15 US disclosed
EP-1237856-A1 NEW TRI-SUBSTITUTED PHENYL DERIVATIVES AND ANALOGUES AstraZeneca AB (SE) 2002-09-11 EP disclosed
EP-1237857-A1 NEW PHENALKYLOXY-PHENYL DERIVATIVES AstraZeneca AB (SE) 2002-09-11 EP disclosed
US-20010034371-A1 New 3-aryl-2-hydroxypropionic acid derivative I ANDERSSON KJELL (SE) 2001-10-25 US disclosed
US-6258850-B1 SULFONATE DERIVATIVES OF ETHER, ACIDS AS DRUGS ASTRAZENECA AB (SE) 2001-07-10 US disclosed
WO-2001040170-A1 NEW PHENALKYLOXY-PHENYL DERIVATIVES ASTRAZENECA AB (SE) 2001-06-07 WO disclosed
WO-2001040172-A1 NEW TRI-SUBSTITUTED PHENYL DERIVATIVES AND ANALOGUES ASTRAZENECA AB (SE) 2001-06-07 WO disclosed
EP-1084103-A1 NEW 3-ARYL-2-HYDROXYPROPIONIC ACID DERIVATIVE (I) AstraZeneca AB (SE) 2001-03-21 EP disclosed
EP-1084102-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS AstraZeneca AB (SE) 2001-03-21 EP disclosed
WO-1999062872-A1 NEW 3-ARYL-2-HYDROXYPROPIONIC ACID DERIVATIVE (I) ASTRAZENECA AB (SE) 1999-12-09 WO disclosed
WO-1999062871-A1 NEW 3-ARYL PROPIONIC ACID DERIVATIVES AND ANALOGS ASTRAZENECA AB (SE) 1999-12-09 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 (7 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-20040229949-A1 New 3-aryl propionic acid derivatives and analogs GPR119, INSR, IRS1 PPARA 11/4885PPARG 22/4885S1PR1 2300/4885
US-20010034371-A1 New 3-aryl-2-hydroxypropionic acid derivative I GPR119, IRS1, INSR PPARA 79/4885PPARG 144/4885S1PR1 2644/4885
US-20040229946-A1 New 3-aryl-2-hydroxypropionic acid derivative I GPR119, IRS1, INSR PPARA 79/4885PPARG 144/4885S1PR1 2644/4885
US-20060173204-A1 New 3-aryl propionic acid derivatives and analogs GPR119, INSR, IRS1 PPARA 11/4885PPARG 22/4885S1PR1 2300/4885
US-20060040979-A1 3-Aryl-2-hydroxypropionic acid derivative I GPR119, IRS1, INSR PPARA 42/4885PPARG 95/4885S1PR1 2601/4885
US-20050014955-A1 Process for the preapartion 3-aryl-2-hydroxypropionic acid derivative GRHPR, PAH, P4HA1 PPARA 2485/4885PPARG 2770/4885S1PR1 1464/4885
US-20050215808-A1 New process CFH, REN, CYP11B2 PPARA 4075/4885PPARG 3890/4885S1PR1 2679/4885

“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.