SCHEMBL5205865

SCHEMBL5205865

Cc1oc(-c2cccc(-c3ccsc3)c2)nc1C(C)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.40
PRMT6 Q96LA8 1/20 0.37
CYP2A6 P11509 4/20 0.36
IKBKB O14920 1/20 0.35
CYP2B6 P20813 2/20 0.35
CYP2E1 P05181 1/20 0.35
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
ASIC3 Q9UHC3 1/20 0.34
TMIGD3 P0DMS9 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
PDGFRB P09619 1/20 0.34
PDGFRA P16234 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PRKDC P78527 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33

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
SCHEMBL5207310 0.80 ATAD2 (0.40) PRMT6CA1CA2CA9
SCHEMBL5123679 0.78 NPC1 (0.48) PPARGPPARA
SCHEMBL5209327 0.77 KDM1A (0.46) KDRPRMT6PPARGPPARA
SCHEMBL3886258 0.76 KDM4E (0.50) PPARGPPARA
SCHEMBL5721821 0.73 ALDH1A1 (0.50) PPARGPPARACYP3A4CYP2C9CA1
SCHEMBL31539171 0.70 TARBP2 (0.47) IKBKBCYP3A4CYP2C9
SCHEMBL4350314 0.69 CYP2A6 (0.68) PRMT6CYP2A6CYP2B6CYP2E1PDGFRB
SCHEMBL4915898 0.69 ALDH1A1 (0.43) CYP3A4CYP2C9CYP2C19
SCHEMBL7083110 0.68 NPC1 (0.43)
SCHEMBL13633892 0.67 IKBKB (0.50) CYP2A6IKBKBCYP2B6CYP2E1PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313717-B1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS LILLY CO ELI (US) 2007-10-17 EP disclosed
US-7176224-B2 Oxazolyl-aryloxyacetic acid derivatives and their use as PPAR agonists ELI LILLY AND COMPANY (US) 2007-02-13 US disclosed
US-20040138277-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists ELI LILLY AND COMPANY 2004-07-15 US disclosed
EP-1313717-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
WO-2002016332-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-02-28 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 (1 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-20040138277-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists PPARA, PPARD, PPARG KDR 1028/4885PRMT6 4497/4885CYP2A6 121/4885

“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.