SCHEMBL2104046

SCHEMBL2104046

CC(C)CCNC(=O)c1ccc(-c2cc(Cl)ccc2O)cc1F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GCG P01275 3/20 0.51
CDK1 P06493 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
ALPL P05186 1/20 0.44
MCHR1 Q99705 2/20 0.44
HTR2A P28223 1/20 0.43
TDP1 Q9NUW8 2/20 0.41
POLB P06746 1/20 0.41
THRB P10828 1/20 0.41
RECQL P46063 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CHRM4 P08173 1/20 0.41
LMNA P02545 1/20 0.40
P2RX1 P51575 1/20 0.40
DNMT3A Q9Y6K1 1/20 0.39

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
SCHEMBL3341341 0.86 LMNA (0.51) GCGHTTNPC1LMNADNMT3A
SCHEMBL2099233 0.85 LMNA (0.53) GCGCDK1L3MBTL1MCHR1HTR2A
SCHEMBL2099245 0.83 GCG (0.48) GCGL3MBTL1TSHRHTTALPL
SCHEMBL2102486 0.81 P2RX1 (0.47) GCGSMN1; SMN2NPC1RAB9ALMNA
SCHEMBL2100684 0.80 HTT (0.46) GCGHTTP2RX1
SCHEMBL2102884 0.76 ANO1 (0.45) GCGL3MBTL1P2RX1
SCHEMBL2102811 0.75 GRM5 (0.48) GCGL3MBTL1SMN1; SMN2NPC1RAB9A
SCHEMBL2102473 0.73 GCG (0.48) GCGL3MBTL1TSHRMCHR1HTR2A
SCHEMBL2099314 0.72 TSHR (0.46) GCGTSHRHTR2ASMN1; SMN2LMNA
SCHEMBL23079363 0.72 SMN1; SMN2 (0.47) CDK1HTTSMN1; SMN2NPC1RAB9A

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 GCG 1309/4885CDK1 3903/4885L3MBTL1 3961/4885
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 GCG 1309/4885CDK1 3903/4885L3MBTL1 3961/4885
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 GCG 1309/4885CDK1 3903/4885L3MBTL1 3961/4885

“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.