SCHEMBL1333702

SCHEMBL1333702

CNC(=O)c1ccc(Sc2cc(Cl)ccc2OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 3/20 0.51
SLC6A4 P31645 3/20 0.51
SLC6A3 Q01959 3/20 0.51
PYGL P06737 2/20 0.48
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
KDM4E B2RXH2 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MAPT P10636 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
ALPL P05186 1/20 0.47
CPT1A P50416 3/20 0.47
CPT2 P23786 1/20 0.47
CPT1B Q92523 1/20 0.47
TP53 P04637 1/20 0.45
PLK1 P53350 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL1332102 0.85 CPT1A (0.54) LMNAALDH1A1HPGDKDM4ENPSR1
SCHEMBL1332570 0.84 TDP1 (0.54) SLC6A2SLC6A4SLC6A3LMNAALDH1A1
SCHEMBL1333542 0.80 HSD17B2 (0.49) LMNAALDH1A1HPGDKDM4ENPSR1
SCHEMBL31345532 0.77 ALDH1A1 (0.56) LMNAALDH1A1HPGDNPSR1MAPT
SCHEMBL29224663 0.74 TUBB4A (0.50) LMNAALDH1A1HPGDKDM4ECPT1A
SCHEMBL11749520 0.73 LMNA (0.46) LMNAALDH1A1HPGDKDM4ENPSR1
Bicarbonate SCHEMBL5983733 0.73 PTGDR2 (0.46) LMNAALDH1A1
SCHEMBL2656034 0.72 ALDH1A1 (0.63) LMNAALDH1A1HPGDKDM4ENPSR1
SCHEMBL13580697 0.72 ALDH1A1 (0.64) SLC6A2SLC6A4SLC6A3PYGLLMNA
SCHEMBL31743126 0.72 LMNA (0.69) LMNAALDH1A1HPGDKDM4ENPSR1

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-8394986-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (GB) 2013-03-12 US disclosed
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB 2011-11-17 US disclosed
US-8003703-B2 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2011-08-23 US disclosed
EP-1660431-B1 PHENOXYACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2009-04-01 EP disclosed
US-20060293352-A1 Phenoxiacetic acid derivatives ASTRAZENECA AB (SE) 2006-12-28 US disclosed
EP-1660431-A2 PHENOXYACETIC ACID DERIVATIVES Astrazeneca AB (SE) 2006-05-31 EP disclosed
WO-2005018529-A2 PHENOXIACETIC ACID DERIVATIVES ASTRAZENECA AB (SE) 2005-03-03 WO 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 (2 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-20060293352-A1 Phenoxiacetic acid derivatives HRH2, HRH1, HCAR2 SLC6A2 1394/4885SLC6A4 2808/4885SLC6A3 3389/4885
US-20110281898-A1 PHENOXIACETIC ACID DERIVATIVES HIF1A, HPD, HIF1AN SLC6A2 504/4885SLC6A4 1152/4885SLC6A3 926/4885

“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.