SCHEMBL2820258

SCHEMBL2820258

CCCc1c(CO)cnn1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 1/20 0.41
MAPT P10636 1/20 0.39
GABRB3 P28472 3/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PTGDR2 Q9Y5Y4 6/20 0.38
PTGER4 P35408 1/20 0.38
PKM P14618 1/20 0.38
PKLR P30613 1/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
GRIA2 P42262 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
HTR6 P50406 1/20 0.36
BRD4 O60885 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
SCHEMBL5380666 0.82 TSHR (0.44) ALDH1A1PTGDR2BRD4
SCHEMBL2825933 0.76 NPC1 (0.54) NPBWR1MAPTKDM4EALDH1A1
SCHEMBL2821398 0.74 PTGER4 (0.40) GABRB3PTGDR2PTGER4NR1H2NR1H3
SCHEMBL31584017 0.71 PTGDR2 (0.47) NPBWR1MAPTKDM4EALDH1A1PTGDR2
SCHEMBL14476267 0.67 PPARG (0.41)
SCHEMBL1696674 0.66 TAAR1 (0.61)
SCHEMBL14973283 0.66 MAPT (0.43) MAPTKDM4EPTGDR2PTGER4
SCHEMBL23400358 0.65 TSHR (0.46) KDM4EALDH1A1BRD4
Ammonia Solution, Strong SCHEMBL6193177 0.65 TAAR1 (0.59)
SCHEMBL31122804 0.64 NPBWR1 (0.52) NPBWR1KDM4EALDH1A1PKMPKLR

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 NPBWR1 638/4885MAPT 4229/4885GABRB3 1772/4885

“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.