SCHEMBL1014886

SCHEMBL1014886

COC(=O)c1ccc(OC(C)C)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
JAK2 O60674 1/20 0.47
TYK2 P29597 1/20 0.47
ABL1 P00519 1/20 0.46
KMT2A Q03164 1/20 0.43
GLA P06280 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
PARP10 Q53GL7 1/20 0.42
MAPT P10636 2/20 0.42
RAB9A P51151 2/20 0.42
NR1H4 Q96RI1 1/20 0.42
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42

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
SCHEMBL6299310 0.87 ALDH1A1 (0.53) ALDH1A1JAK2TYK2KMT2ACA12
SCHEMBL1180038 0.84 TYK2 (0.57) ALDH1A1JAK2TYK2ABL1GLA
SCHEMBL3418753 0.83 ALDH1A1 (0.71) ALDH1A1JAK2TYK2KMT2APARP10
SCHEMBL9286046 0.81 XDH (0.53) ALDH1A1ABL1KMT2AMAPTRAB9A
SCHEMBL3660995 0.81 CA12 (0.66) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL2104774 0.81 PARP10 (0.56) ALDH1A1JAK2TYK2KMT2AGLA
SCHEMBL12493428 0.80 ALDH1A1 (0.53) ALDH1A1KMT2AGLACA12CA1
SCHEMBL27789682 0.80 ALDH1A1 (0.77) ALDH1A1KMT2AGLACA12CA1
SCHEMBL5431477 0.80 ALDH1A1 (0.53) ALDH1A1KMT2AGLAMAPTRAB9A
SCHEMBL516293 0.80 ABL1 (0.46) ALDH1A1JAK2TYK2ABL1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
EP-2271643-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-01-12 EP disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 WO disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 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 (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-20110039889-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 ALDH1A1 427/4885JAK2 802/4885TYK2 2013/4885

“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.