SCHEMBL2102486

SCHEMBL2102486

CNC(=O)c1ccc(-c2cc(Cl)ccc2O)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 5/20 0.47
GCG P01275 3/20 0.45
KCNMA1 Q12791 3/20 0.45
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
P2RX4 Q99571 2/20 0.44
P2RX7 Q99572 2/20 0.44
GAA P10253 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NUDT1 P36639 1/20 0.43
TMPRSS4 Q9NRS4 3/20 0.42
PDE2A O00408 2/20 0.42
PDE10A Q9Y233 2/20 0.42
CA1 P00915 1/20 0.41

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
SCHEMBL2099233 0.86 LMNA (0.53) P2RX1GCGKCNMA1TAS1R3TAS1R1
SCHEMBL2100014 0.83 ALDH1A1 (0.50) KCNMA1GAANPC1RAB9AALDH1A1
SCHEMBL2100684 0.83 HTT (0.46) P2RX1GCGKCNMA1TAS1R3TAS1R1
SCHEMBL14903858 0.82 GAA (0.56) KCNMA1GAANPC1RAB9AALDH1A1
SCHEMBL2102884 0.82 ANO1 (0.45) P2RX1GCGKCNMA1TAS1R3TAS1R1
SCHEMBL2104046 0.81 GCG (0.51) P2RX1GCGNPC1RAB9ALMNA
SCHEMBL2102811 0.80 GRM5 (0.48) GCGNPC1RAB9AALDH1A1SMN1; SMN2
SCHEMBL2101868 0.78 PTGDR2 (0.57) GCG
SCHEMBL2100243 0.78 TSHR (0.49) GCGALDH1A1NUDT1
SCHEMBL17481527 0.77 GAA (0.58) P2RX1KCNMA1TAS1R3TAS1R1TAS1R2

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 8 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

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 P2RX1 1026/4885GCG 1309/4885KCNMA1 2734/4885
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 P2RX1 1026/4885GCG 1309/4885KCNMA1 2734/4885
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 P2RX1 1026/4885GCG 1309/4885KCNMA1 2734/4885

“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.