SCHEMBL1990245

SCHEMBL1990245

O=S(=O)(c1ccc(F)cc1)c1ccc(Br)cc1F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
PKM P14618 2/20 0.55
AKR1B1 P15121 3/20 0.51
HSD11B1 P28845 3/20 0.47
MAPT P10636 2/20 0.44
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
NMT1 P30419 1/20 0.41
COMT P21964 1/20 0.40
NAMPT P43490 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
TP53 P04637 1/20 0.38
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38

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
SCHEMBL2350373 0.86 AKR1B1 (0.51) LMNAPKMAKR1B1HSD11B1NMT1
SCHEMBL2909345 0.82 PKM (0.53) LMNAPKMAKR1B1HSD11B1
SCHEMBL1988091 0.81 AKR1B1 (0.48) LMNAPKMAKR1B1NMT1ABCC9
SCHEMBL25020313 0.79 CCR2 (0.51) AKR1B1HSD11B1NAMPTFLT1FLT4
SCHEMBL25802449 0.79 POLB (0.45) LMNAPKMAKR1B1HSD11B1MAPT
SCHEMBL25873556 0.79 MEN1 (0.46) LMNAPKMAKR1B1HSD11B1MAPT
SCHEMBL2906683 0.78 CA2 (0.50) LMNAPKMAKR1B1HSD11B1MAPT
SCHEMBL29268500 0.77 MAPT (0.49) LMNAPKMAKR1B1HSD11B1MAPT
SCHEMBL1991495 0.76 AKR1B1 (0.53) AKR1B1HSD11B1NMT1KMT2A
SCHEMBL1465117 0.76 HTR2A (0.45) AKR1B1HSD11B1MAPTKCNQ3KCNQ2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8415394-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (GB) 2013-04-09 US disclosed
US-8349897-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2013-01-08 US disclosed
US-20120178814-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease LUKER TIMOTHY JON (GB) 2012-07-12 US disclosed
US-8008350-B2 Biphenyloxyacetic acid derivatives for the treatment of respiratory disease ASTRAZENECA AB (SE) 2011-08-30 US disclosed
US-20110152374-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2011-06-23 US disclosed
EP-1937633-B1 BIPHENYLOXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2010-08-04 EP disclosed
US-20090036535-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease ASTRAZENECA AB (SE) 2009-02-05 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-20120178814-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease BPGM, PPARA, HPD LMNA 1822/4885PKM 1408/4885AKR1B1 400/4885
US-20110152374-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease BPGM, PPARA, HPD LMNA 1822/4885PKM 1408/4885AKR1B1 400/4885
US-20090036535-A1 Biphenyloxyacetic Acid Derivatives for the Treatment of Respiratory Disease BPGM, PPARA, HPD LMNA 1822/4885PKM 1408/4885AKR1B1 400/4885

“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.