SCHEMBL4915898

SCHEMBL4915898

Cc1oc(-c2cccs2)nc1C(C)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.43
KDM4E B2RXH2 11/20 0.43
SMN1; SMN2 Q16637 6/20 0.43
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
NFKB1 P19838 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
TP53 P04637 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 5/20 0.42
CYP1A2 P05177 3/20 0.42
GLA P06280 2/20 0.42
GAA P10253 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42

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 0.85 ATAD2 (0.40) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL5801777 0.78 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL8813501 0.77 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL14776632 0.74 KDM4E (0.47) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL3886258 0.74 KDM4E (0.50) KDM4ESMN1; SMN2RAB9ANPC1NFKB1
SCHEMBL5800639 0.73 ALDH1A1 (0.46) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL13633793 0.72 KDM4E (0.54) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL5228001 0.72 ALDH1A1 (0.52) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL11624332 0.72 ALDH1A1 (0.48) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1
SCHEMBL31539171 0.71 TARBP2 (0.47) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1

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-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar ELI LILLY AND COMPANY (US) 2008-08-28 US disclosed
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) GOSSETT LYNN STACY 2008-07-10 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-7282501-B2 Modulators of peroxisome proliferator activated receptors (PPAR) ELI LILLY AND COMPANY (US) 2007-10-16 US disclosed
EP-1313715-B1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS LILLY CO ELI (US) 2007-08-01 EP disclosed
EP-1401434-B1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) LILLY CO ELI (US) 2006-11-15 EP disclosed
EP-1687299-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS, USEFUL FOR THE TREAMTMENT AND/OR PREVENTION OF DISORDERS MODULATED BY A PPAR ELI LILLY AND COMPANY (US) 2006-08-09 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
WO-2005051945-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS, USEFUL FOR THE TREATMENT AND/OR PREVENTION OF DISORDERS MODULATED BY A PPAR ELI LILLY AND COMPANY (US) 2005-06-09 WO disclosed
US-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) ELI LILLY AND COMPANY 2005-04-07 US disclosed
EP-1401434-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2004-03-31 EP 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-2002100403-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) ELI LILLY AND COMPANY (US) 2002-12-19 WO 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 (6 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 ALDH1A1 826/4885KDM4E 2919/4885SMN1; SMN2 4663/4885
US-20040024034-A1 Oxazolyl-aryloxyacetic acid derivatives and their use as ppar agonists PPARA, PPARG, PPARD ALDH1A1 1495/4885KDM4E 2795/4885SMN1; SMN2 4607/4885
US-20050075378-A1 Modulators of peroxisome proliferator activated receptors (ppar) PPARG, PPARA, PPARD ALDH1A1 1363/4885KDM4E 4175/4885SMN1; SMN2 4607/4885
US-20080167310-A1 MODULATORS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS (PPAR) PPARG, PPARA, PPARD ALDH1A1 1363/4885KDM4E 4175/4885SMN1; SMN2 4607/4885
US-20080146631-A1 OXAZOLYL-ARYLOXYACETIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS PPARA, PPARG, PPARD ALDH1A1 936/4885KDM4E 2738/4885SMN1; SMN2 4700/4885
US-20080207685-A1 Heterocyclic Compounds As Modulators Of Peroxisome Proliferator Activated Receptors, Useful For The Treatment And/Or Prevention Of Disorders Modulated By A Ppar PPARG, PPARD, PPARA ALDH1A1 1297/4885KDM4E 4016/4885SMN1; SMN2 4506/4885

“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.