SCHEMBL1990982

SCHEMBL1990982

Cc1ccc(OC(C(=O)O)C(C)(C)C)c(-c2ccc(S(=O)(=O)c3ccccc3)c(F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 3/20 0.40
ABCC8 Q09428 3/20 0.40
KCNJ11 Q14654 3/20 0.40
KCNJ8 Q15842 3/20 0.40
ABCB11 O95342 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
NAMPT P43490 1/20 0.34
SLC2A1 P11166 1/20 0.34
MMP2 P08253 2/20 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
SCHEMBL1992064 0.93 PTGDR2 (0.39) ABCC9ABCC8KCNJ11KCNJ8ABCB11
SCHEMBL14828506 0.82 PTGDR2 (0.43) ABCB11PTGDR2CNR1
SCHEMBL2907114 0.82 PTGS2 (0.48) ABCC9ABCC8KCNJ11KCNJ8ALOX5AP
SCHEMBL1993598 0.81 PTGDR2 (0.61) PTGDR2ALOX5APFEN1
SCHEMBL1988641 0.80 ABCB11 (0.50) ABCC9ABCC8KCNJ11KCNJ8ABCB11
SCHEMBL2347649 0.80 PTGDR2 (0.40) ABCB11PTGDR2ALOX5APFEN1CTSA
SCHEMBL1992062 0.78 ABCB11 (0.49) ABCC9ABCC8KCNJ11KCNJ8ABCB11
SCHEMBL1996728 0.78 PPARG (0.42) ABCC9ABCC8KCNJ11KCNJ8PTGDR2
SCHEMBL1990646 0.77 POLB (0.44) ABCC9ABCC8KCNJ11KCNJ8ALOX5AP
SCHEMBL1992682 0.77 PTGDR2 (0.37) ABCC9ABCC8KCNJ11KCNJ8PTGDR2

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-8008350-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2011-08-30 US disclosed
US-20110152374-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2011-06-23 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-20110152374-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease BPGM, PPARA, HPD ABCC9 1711/4885ABCC8 1805/4885KCNJ11 3890/4885

“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.