SCHEMBL2819339

SCHEMBL2819339

CCCc1nn(Cc2ccc(C(F)(F)F)cc2)cc1C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.42
KDM4E B2RXH2 4/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CRHBP P24387 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
PTGER4 P35408 1/20 0.40
ADORA3 P0DMS8 2/20 0.40
ADORA2A P29274 2/20 0.40
ADORA1 P30542 2/20 0.40
DGAT1 O75907 1/20 0.40
PTGDR2 Q9Y5Y4 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
SCHEMBL3354410 0.84 MAPT (0.44) KDM4EALDH1A1MAPTMEN1HSP90AA1
SCHEMBL18795082 0.76 LMNA (0.45) KDM4EALDH1A1MAPTKMT2ANPC1
SCHEMBL6035696 0.76 SMN1; SMN2 (0.57) KDM4EMAPTHSP90AA1NPC1RAB9A
SCHEMBL16246817 0.76 GRM2 (0.54) GRM2DGAT1
SCHEMBL2825933 0.76 NPC1 (0.54) KDM4EALDH1A1MAPTMEN1HSP90AA1
SCHEMBL24208428 0.74 GRM2 (0.50) GRM2KDM4EALDH1A1MAPTMEN1
SCHEMBL3356514 0.74 MAPT (0.46) KDM4EALDH1A1MAPTMEN1KMT2A
SCHEMBL18617480 0.74 DGAT1 (0.59) GRM2KDM4EALDH1A1CRHBPCRHR2
SCHEMBL1049941 0.74 GAA (0.56) GRM2KDM4EALDH1A1MAPTNPSR1
SCHEMBL20477440 0.74 ALDH1A1 (0.56) KDM4EALDH1A1MAPTCRHBPKMT2A

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 2 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 disclosed
WO-2010071813-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-α ARYX THERAPEUTICS, INC. (US) 2010-06-24 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-20100184815-A1 AGONISTS OF PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR-ALPHA PPARA, PPARD, PPARG GRM2 849/4885KDM4E 4620/4885ALDH1A1 461/4885

“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.