SCHEMBL3341029

SCHEMBL3341029

CCC(CC)NC(=O)c1ccc(Br)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
DGAT1 O75907 1/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
GAA P10253 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 1/20 0.50
HPGD P15428 1/20 0.46
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
KDR P35968 1/20 0.46
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46
TAS1R2 Q8TE23 2/20 0.46
FPR2 P25090 1/20 0.45
TMEM97 Q5BJF2 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
PKM P14618 1/20 0.43
HTT P42858 2/20 0.43

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
SCHEMBL27765925 0.85 DGAT1 (0.51) SMN1; SMN2DGAT1NPC1ALDH1A1LMNA
SCHEMBL3345916 0.83 DGAT1 (0.54) SMN1; SMN2DGAT1NPC1ALDH1A1LMNA
SCHEMBL3346723 0.80 DGAT1 (0.54) SMN1; SMN2DGAT1NPC1ALDH1A1LMNA
SCHEMBL20108208 0.79 TAS1R3 (0.47) SMN1; SMN2ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL29816280 0.79 TAS1R3 (0.47) SMN1; SMN2ALDH1A1TAS1R3TAS1R1TAS1R2
SCHEMBL24671489 0.79 NPC1 (0.50) SMN1; SMN2DGAT1NPC1ALDH1A1LMNA
SCHEMBL18896231 0.78 TAS1R3 (0.58) SMN1; SMN2NPC1ALDH1A1LMNAGAA
SCHEMBL793201 0.77 DGAT1 (0.65) SMN1; SMN2DGAT1NPC1ALDH1A1LMNA
SCHEMBL1648482 0.77 DGAT1 (0.59) SMN1; SMN2DGAT1NPC1ALDH1A1LMNA
SCHEMBL582871 0.77 TMEM97 (0.57) SMN1; SMN2DGAT1NPC1ALDH1A1LMNA

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 SMN1; SMN2 2732/4885DGAT1 1488/4885NPC1 1236/4885
US-20100160285-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 SMN1; SMN2 2732/4885DGAT1 1488/4885NPC1 1236/4885
US-20080132480-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease CYP26A1, CYP1A1, GPBAR1 SMN1; SMN2 2732/4885DGAT1 1488/4885NPC1 1236/4885

“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.