SCHEMBL2821398

SCHEMBL2821398

CCCc1nn(Cc2ccc(C(F)(F)F)cc2)cc1CO

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.40
GRIA2 P42262 8/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
EPHB4 P54760 1/20 0.39
TEK Q02763 1/20 0.39
GABRB3 P28472 2/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HTR6 P50406 1/20 0.38
ADORA2A P29274 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
TGM2 P21980 1/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37

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
SCHEMBL2819339 0.76 GRM2 (0.42) PTGER4PTGDR2HDAC1HDAC7ADORA2A
SCHEMBL2820258 0.74 NPBWR1 (0.41) PTGER4GRIA2PTGDR2GABRB3GABRA2
SCHEMBL2821982 0.73 PPARA (0.47) PTGER4
SCHEMBL6036156 0.72 SMN1; SMN2 (0.40) GABRB3GABRA2GABRB2
SCHEMBL2823043 0.72 PTGER4 (0.38) PTGER4PTGDR2HDAC1ADORA2AADORA1
SCHEMBL6036189 0.68 TLR8 (0.44) GABRB3GABRA2GABRB2
SCHEMBL29185672 0.67 KDM4E (0.41) PTGDR2EPHB4TEKHDAC1HDAC7
SCHEMBL2821391 0.67 NOTUM (0.68) EPHB4TEKHDAC1TGM2
SCHEMBL14476267 0.67 PPARG (0.41)
SCHEMBL1696674 0.66 TAAR1 (0.61) HDAC1

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 PTGER4 72/4885GRIA2 1246/4885PTGDR2 338/4885

“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.