SCHEMBL2806368

SCHEMBL2806368

CCOC(=O)C(C)(Cc1ccc(Oc2cc(Cl)nc(NCc3ccccc3)n2)cc1)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ALDH1A1 P00352 1/20 0.52
GLA P06280 1/20 0.52
CYP1A2 P05177 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
PPARG P37231 8/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
HTT P42858 1/20 0.44
PPARA Q07869 2/20 0.44
OPRK1 P41145 1/20 0.43
BCHE P06276 1/20 0.40

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
SCHEMBL2808920 0.85 PPARG (0.56) ALDH1A1PPARGSMN1; SMN2PPARAOPRK1
SCHEMBL2806787 0.85 PPARG (0.66) LMNAALDH1A1GLACYP1A2MAPT
SCHEMBL2807718 0.75 PPARG (0.78) LMNAALDH1A1GLACYP1A2MAPT
SCHEMBL2804812 0.74 PPARG (0.69) PPARGPPARA
SCHEMBL2806027 0.73 PPARG (0.84) ALDH1A1MAPTPPARGPPARA
SCHEMBL2811651 0.73 PPARG (0.84) ALDH1A1MAPTPPARGPPARA
SCHEMBL2809038 0.73 PPARG (0.84) ALDH1A1MAPTPPARGPPARA
SCHEMBL2807182 0.73 PPARG (0.55) LMNAALDH1A1MAPTPPARGSMN1; SMN2
SCHEMBL14176249 0.72 PPARA (0.56) LMNAALDH1A1CYP1A2CYP2C19PPARG
SCHEMBL2804981 0.72 OPRK1 (0.51) ALDH1A1CYP1A2MAPTPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513233-B2 Pyrimidinyl-propionic acid derivatives and their use as PPAR agonists SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2013-08-20 US disclosed
US-8513233-B2 Pyrimidinyl-propionic acid derivatives and their use as PPAR agonists SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2013-08-20 US disclosed
US-8513233-B2 Pyrimidinyl-propionic acid derivatives and their use as PPAR agonists SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2013-08-20 US disclosed
US-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHENYANG SUNSHINE PHARMACEUTICAL COMPANY LIMITED (CN) 2010-09-23 US disclosed
US-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHENYANG SUNSHINE PHARMACEUTICAL COMPANY LIMITED (CN) 2010-09-23 US disclosed
US-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHENYANG SUNSHINE PHARMACEUTICAL COMPANY LIMITED (CN) 2010-09-23 US disclosed
WO-2009046606-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS SHANGHAI INSTITUTE OF MATERIA MEDICA, CAS (CN) 2009-04-16 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-20100240636-A1 PYRIMIDINYL-PROPIONIC ACID DERIVATIVES AND THEIR USE AS PPAR AGONISTS PPARA, PPARD, PPARG LMNA 2582/4885ALDH1A1 838/4885GLA 3585/4885

“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.