SCHEMBL3343083

SCHEMBL3343083

CC(C)CNC(=O)c1ccc(Br)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.50
KMT2A Q03164 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 2/20 0.50
LMNA P02545 2/20 0.50
DGAT1 O75907 1/20 0.50
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HPGD P15428 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TP53 P04637 1/20 0.49
HSD17B10 Q99714 2/20 0.47
PPARD Q03181 1/20 0.46
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46

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
SCHEMBL2927270 0.90 TMEM97 (0.49) ALDH1A1KDM4ESMN1; SMN2KMT2ANPC1
SCHEMBL2924440 0.90 TMEM97 (0.49) ALDH1A1KDM4ESMN1; SMN2KMT2ANPC1
SCHEMBL27765923 0.88 DGAT1 (0.51) ALDH1A1KDM4ESMN1; SMN2KMT2ANPC1
SCHEMBL25284100 0.84 TMEM97 (0.47) ALDH1A1KDM4ESMN1; SMN2KMT2ANPC1
SCHEMBL12121137 0.83 TP53 (0.50) SMN1; SMN2KMT2AGAALMNAHPGD
SCHEMBL3346723 0.83 DGAT1 (0.54) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL26838419 0.82 TMEM97 (0.59) ALDH1A1KDM4ESMN1; SMN2KMT2ANPC1
SCHEMBL14547912 0.82 TP53 (0.49) ALDH1A1KDM4ESMN1; SMN2KMT2AGAA
SCHEMBL20460554 0.82 TP53 (0.49) ALDH1A1KDM4ESMN1; SMN2KMT2AGAA
SCHEMBL30935035 0.81 KMT2A (0.47) ALDH1A1KDM4ESMN1; SMN2KMT2ANPC1

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 9 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
CN-101048369-B Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB 2010-09-08 CN 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
CN-101048369-A Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2007-10-03 CN 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 ALDH1A1 42/4885KDM4E 2344/4885SMN1; SMN2 2732/4885
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 ALDH1A1 42/4885KDM4E 2344/4885SMN1; SMN2 2732/4885
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 ALDH1A1 42/4885KDM4E 2344/4885SMN1; SMN2 2732/4885

“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.