SCHEMBL5099115

SCHEMBL5099115

Cc1oc(-c2ccc(Br)cc2)nc1CC#N

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 1/20 0.47
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
NPC1 O15118 5/20 0.43
RAB9A P51151 5/20 0.43
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 4/20 0.42
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HSD17B10 Q99714 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
DGAT1 O75907 1/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
ESR2 Q92731 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
SCHEMBL22630335 0.85 HSD17B10 (0.50) TARBP2PPARANPC1RAB9ATSHR
SCHEMBL2980371 0.84 KDM4E (0.59) PPARGPPARANPC1RAB9AKDM4E
SCHEMBL5103005 0.83 RXFP1 (0.49) PPARGPPARANPC1RAB9ATSHR
SCHEMBL9096448 0.82 ALDH1A1 (0.50) TARBP2NPC1RAB9ATSHRSMN1; SMN2
SCHEMBL5759578 0.81 KDM4E (0.47) PPARGPPARARAB9AKDM4EALDH1A1
SCHEMBL3996100 0.80 TARBP2 (0.50) TARBP2PPARGPPARANPC1RAB9A
SCHEMBL14431360 0.80 TARBP2 (0.50) TARBP2PPARGPPARANPC1RAB9A
SCHEMBL5023940 0.80 TARBP2 (0.50) TARBP2PPARGPPARANPC1RAB9A
SCHEMBL5093853 0.80 TARBP2 (0.54) TARBP2PPARGPPARANPC1RAB9A
SCHEMBL4830096 0.80 TARBP2 (0.50) TARBP2PPARGPPARANPC1RAB9A

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-20080146631-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS BROOKS DAWN ALISA 2008-06-19 US disclosed
US-20080146631-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS BROOKS DAWN ALISA 2008-06-19 US disclosed
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
US-7351728-B2 Oxazolyl-aryloxyacetic acid derivatives and their use as PPAR agonists ELI LILLY AND COMPANY (US) 2008-04-01 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-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) ELI LILLY AND COMPANY 2005-04-07 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-1313717-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
EP-1313715-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2003-05-28 EP disclosed
EP-1206457-A1 BIARYL-OXA(THIA)ZOLE DERIVATIVES AND THEIR USE AS PPARS MODULATORS ELI LILLY AND COMPANY (US) 2002-05-22 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
WO-2002016332-A1 OXAZOLYL-ARYLPROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS ELI LILLY AND COMPANY (US) 2002-02-28 WO disclosed
WO-2001016120-A1 BIARYL-OXA(THIA)ZOLE DERIVATIVES AND THEIR USE AS PPARS MODULATORS ELI LILLY AND COMPANY (US) 2001-03-08 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 (4 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 TARBP2 4491/4885PPARG 2/4885PPARA 1/4885
US-20040024034-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists PPARA, PPARG, PPARD TARBP2 4537/4885PPARG 2/4885PPARA 1/4885
US-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) PPARG, PPARA, PPARD TARBP2 2716/4885PPARG 1/4885PPARA 2/4885
US-20080146631-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS PPARA, PPARG, PPARD TARBP2 4382/4885PPARG 2/4885PPARA 1/4885

“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.