SCHEMBL1714744

SCHEMBL1714744

CC(C)c1ccc(O)c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)c1

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.81
PKM P14618 2/20 0.81
HTT P42858 2/20 0.81
ALDH1A1 P00352 4/20 0.65
TSHR P16473 1/20 0.65
THRB P10828 1/20 0.57
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
NSD2 O96028 1/20 0.54
KDM4E B2RXH2 3/20 0.53
POLB P06746 2/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
TP53 P04637 3/20 0.52
RECQL P46063 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL1714970 0.84 TP53 (0.74) LMNAPKMHTTALDH1A1TSHR
Acetic Acid SCHEMBL27833992 0.84 LMNA (0.61) LMNAPKMHTTALDH1A1TSHR
SCHEMBL28791648 0.83 LMNA (0.58) LMNAPKMHTTALDH1A1TSHR
SCHEMBL27713019 0.82 PTGDR2 (0.67) LMNAPKMHTTALDH1A1TSHR
SCHEMBL1714729 0.82 PTGDR2 (0.73) LMNAPKMHTTALDH1A1KDM4E
SCHEMBL28791649 0.81 LMNA (0.56) LMNAPKMHTTALDH1A1TSHR
SCHEMBL9975978 0.81 KDM4E (0.65) PKMHTTALDH1A1TSHRTHRB
SCHEMBL1714991 0.80 PTGDR2 (0.61) LMNAPKMHTTALDH1A1TSHR
SCHEMBL1713936 0.80 LMNA (0.54) LMNAPKMHTTALDH1A1TSHR
SCHEMBL28770778 0.79 PTGDR2 (0.69) LMNAPKMHTTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101107226-A Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB (SE) 2008-01-16 CN claimed
US-8524715-B2 Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB (SE) 2013-09-03 US disclosed
CN-101107226-B Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB 2012-01-18 CN disclosed
EP-1817282-B1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2011-07-20 EP disclosed
US-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases ASTRAZENECA AB (SE) 2009-06-11 US disclosed
CN-101107226-A Phenoxyacetic acid derivatives useful for treating respiratory diseases ASTRAZENECA AB (SE) 2008-01-16 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 (1 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-20090149448-A1 Phenoxyacetic Acid Derivatives Useful for Treating Respiratory Diseases PAOX, PCCA, PAH LMNA 1387/4885PKM 297/4885HTT 946/4885

“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.