SCHEMBL2102075

SCHEMBL2102075

COc1ccc(Cl)cc1-c1ccc(C(=O)N2[C@H](C)CCC[C@@H]2C)c(Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
HPGD P15428 3/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
ABL1 P00519 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
HSD11B1 P28845 2/20 0.42
DRD2 P14416 1/20 0.41
FFAR2 O15552 1/20 0.41
ERN1 O75460 1/20 0.41
FKBP1A P62942 1/20 0.41
PKM P14618 1/20 0.41
PDK1 Q15118 1/20 0.40
PDK2 Q15119 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
SCHEMBL3340902 0.87 HSD11B1 (0.51) TSHRHPGDHTTALDH1A1NPC1
SCHEMBL2101992 0.87 TSHR (0.52) TSHRHPGDALDH1A1NPSR1NPC1
SCHEMBL2102470 0.85 ALDH1A1 (0.47) TSHRHPGDHTTALDH1A1NPSR1
SCHEMBL3456234 0.82 SMN1; SMN2 (0.55) TSHRHPGDHTTALDH1A1NPSR1
SCHEMBL2102340 0.82 KMT2A (0.49) TSHRHPGDALDH1A1CYP1A2CYP2C19
SCHEMBL2100428 0.82 KDM4E (0.47) TSHRHPGDHTTALDH1A1NPC1
SCHEMBL3345912 0.78 PIK3CA (0.43) HPGDALDH1A1NPC1RAB9AABL1
SCHEMBL3340565 0.77 TSHR (0.56) TSHRHPGDALDH1A1SMN1; SMN2ERN1
SCHEMBL14176481 0.76 PTGDR2 (0.50) TSHR
SCHEMBL2099666 0.75 PTGDR2 (0.49) TSHRHPGDHSD11B1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8722741-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2014-05-13 US disclosed
EP-1784388-B3 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2012-09-05 EP disclosed
US-20120178732-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease LUKER TIMOTHY JON (GB) 2012-07-12 US disclosed
US-8163727-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2012-04-24 US disclosed
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2010-06-24 US disclosed
US-7737135-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2010-06-15 US disclosed
EP-1784388-B1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2009-11-04 EP disclosed
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2008-06-05 US disclosed
EP-1784388-A1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2007-05-16 EP disclosed
WO-2006021759-A1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2006-03-02 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 (3 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-20120178732-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 TSHR 1185/4885HPGD 751/4885HTT 1593/4885
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 TSHR 1185/4885HPGD 751/4885HTT 1593/4885
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 TSHR 1185/4885HPGD 751/4885HTT 1593/4885

“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.