SCHEMBL1368634

SCHEMBL1368634

CC(C)(C)C(Oc1ccc(C#N)cc1Br)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
NR3C1 P04150 6/20 0.44
AR P10275 1/20 0.39
PTGDR2 Q9Y5Y4 3/20 0.38
NCEH1 Q6PIU2 1/20 0.38
TBXA2R P21731 2/20 0.38
ESRRA P11474 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
PPARA Q07869 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.34

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
SCHEMBL2111495 0.82 PTGDR2 (0.51) FFAR1NR3C1PTGDR2NCEH1TBXA2R
SCHEMBL1369521 0.82 PTGDR2 (0.38) FFAR1PTGDR2TBXA2RPLGPLAU
SCHEMBL1368738 0.80 TDP1 (0.44) CYP1A2CYP2C19PPARA
SCHEMBL1371347 0.79 PKM (0.50) FFAR1ARPLGPLAUPLAT
SCHEMBL1369990 0.79 PPARA (0.54) PTGDR2CYP1A2CYP2C19PPARA
SCHEMBL6001992 0.79 AKR1C3 (0.42) CYP1A2CYP2C19
SCHEMBL1367990 0.78 PTGDR2 (0.38) FFAR1NR3C1PTGDR2PLGPLAU
SCHEMBL22769041 0.77 GAA (0.44) NR3C1PLGPLAUPLATPPARA
SCHEMBL1371128 0.77 PTPN1 (0.43) PLGPLAUPLATCYP1A2CYP2C19
SCHEMBL1369029 0.77 ABCB11 (0.41) FFAR1PTGDR2ESRRACYP1A2CYP2C19

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-8273769-B2 Phenoxy acetic acid derivatives MERCK SERONO SA (CH) 2012-09-25 US disclosed
US-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES MERCK SERONO S.A. (CH) 2011-11-24 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-20110288066-A1 PHENOXY ACETIC ACID DERIVATIVES HRH2, HRH1, HRH3 FFAR1 55/4885NR3C1 26/4885AR 743/4885

“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.