SCHEMBL5098263

SCHEMBL5098263

Cc1oc(-c2cccs2)nc1CC(=O)O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.63
ALDH1A1 P00352 6/20 0.55
HPGD P15428 5/20 0.55
MAPT P10636 6/20 0.53
HSD17B10 Q99714 4/20 0.53
MEN1 O00255 1/20 0.52
POLB P06746 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
PPARA Q07869 5/20 0.52
PPARG P37231 4/20 0.51
LMNA P02545 1/20 0.51
PPARD Q03181 3/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL13633793 0.81 KDM4E (0.54) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL5228001 0.80 ALDH1A1 (0.52) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL5109589 0.80 KDM4E (0.62) KDM4EALDH1A1HPGDMEN1KMT2A
SCHEMBL13115803 0.80 ALDH1A1 (0.43) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL1051606 0.80 KDM4E (0.53) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL12522017 0.80 KDM4E (0.53) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL4028821 0.80 KDM4E (0.53) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL4393607 0.79 PPARG (0.61) PPARAPPARGPPARD
SCHEMBL5800641 0.79 KDM4E (0.50) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL12447266 0.79 ALDH1A1 (0.53) KDM4EALDH1A1HPGDMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146631-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS BROOKS DAWN ALISA 2008-06-19 US disclosed
US-7351728-B2 Oxazolyl-aryloxyacetic acid derivatives and their use as PPAR agonists ELI LILLY AND COMPANY (US) 2008-04-01 US disclosed
EP-1313715-B1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS LILLY CO ELI (US) 2007-08-01 EP disclosed
US-6982278-B2 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists ELI LILLY AND COMPANY (US) 2006-01-03 US disclosed
US-20050250825-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as PPAR agonists BROOKS DAWN A 2005-11-10 US disclosed
US-20040024034-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists BROOKS DAWN ALISA (US) 2004-02-05 US disclosed
EP-1313715-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002018355-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-03-07 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-20050250825-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as PPAR agonists PPARA, PPARG, PPARD KDM4E 2919/4885ALDH1A1 826/4885HPGD 1114/4885
US-20040024034-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists PPARA, PPARG, PPARD KDM4E 2795/4885ALDH1A1 1495/4885HPGD 1111/4885
US-20080146631-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS PPARA, PPARG, PPARD KDM4E 2738/4885ALDH1A1 936/4885HPGD 1113/4885

“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.