SCHEMBL2822984

SCHEMBL2822984

CC(C)(Sc1ccc(C(=O)OCc2cnn(-c3ccc(C(F)(F)F)cc3)c2)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GCGR P47871 12/20 0.39
GLP1R P43220 3/20 0.38
GIPR P48546 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
TBXAS1 P24557 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PPARA Q07869 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.35

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
SCHEMBL2821447 0.90 GCGR (0.36) GCGRGLP1RGIPRNPC1RAB9A
SCHEMBL2822440 0.86 TBXAS1 (0.41) NPC1RAB9AALDH1A1LMNAMAPT
SCHEMBL2822928 0.84 PPARA (0.52) GCGRPPARA
SCHEMBL2821343 0.83 POLB (0.55) NPC1KMT2APOLBCYP2C19
SCHEMBL2819515 0.80 THRB (0.43) MAPT
SCHEMBL2818938 0.78 TBXAS1 (0.43) NPC1RAB9AALDH1A1LMNAHTT
SCHEMBL2818531 0.78 PPARD (0.41) GCGRGLP1RGIPRNPC1RAB9A
SCHEMBL2821382 0.76 ALOX5 (0.47) TBXAS1POLB
SCHEMBL2819276 0.76 KLKB1 (0.41) GCGRTBXAS1PPARA
SCHEMBL2824753 0.75 TBXAS1 (0.43) NPC1RAB9AALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 US claimed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 WO claimed
US-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA MPM ASSET MANAGEMENT INVESTORS 2002 BVIII LLC 2010-07-22 US 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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG GCGR 107/4885GLP1R 125/4885GIPR 438/4885

“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.