SCHEMBL1126836

SCHEMBL1126836

CC(C)c1ccn(CC(=O)OC(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.39
PLA2G5 P39877 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.36
FPR2 P25090 3/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
AKR1B1 P15121 1/20 0.34
PTPRC P08575 2/20 0.34

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
SCHEMBL1126792 0.84 RAB9A (0.47) CA12CA1CA2CA9ALDH1A1
SCHEMBL20383847 0.81 AKR1B1 (0.41) PLA2G10PLA2G5CA12CA1CA2
SCHEMBL26085565 0.81 CA12 (0.43) PLA2G10PLA2G5CA12CA1CA2
SCHEMBL28928093 0.79 FPR2 (0.39) PLA2G10PLA2G5CA12CA1CA2
SCHEMBL22572118 0.79 AKR1B1 (0.39) CA12CA1CA2CA9ALDH1A1
SCHEMBL9371797 0.76 KDM4E (0.40) PLA2G10PLA2G5CA12CA1CA2
SCHEMBL13165384 0.74 ALDH1A1 (0.39) PLA2G10PLA2G5ALDH1A1KDM4EKMT2A
SCHEMBL22290473 0.73 AKR1B1 (0.39) CA12CA1CA2CA9KDM4E
SCHEMBL28928213 0.72 ALDH1A1 (0.41) PLA2G10PLA2G5ALDH1A1KDM4EKMT2A
SCHEMBL26757682 0.71 CA12 (0.41) PLA2G10PLA2G5CA12CA1CA2

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-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-8993574-B2 Pyrrole antifungal agents F2G LTD (GB) 2015-03-31 US disclosed
EP-2283006-B1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-02-25 EP disclosed
EP-2626361-B1 Pyrrole antifungal agents F2G LTD (GB) 2014-10-15 EP disclosed
EP-2626361-A1 Pyrrole antifungal agents F2G Limited (GB) 2013-08-14 EP disclosed
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2011-06-23 US disclosed
EP-2283006-A1 PYRROLE ANTIFUNGAL AGENTS F2G Limited (GB) 2011-02-16 EP disclosed
WO-2009130481-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2009-10-29 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-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 PLA2G10 3162/4885PLA2G5 2738/4885CA12 4164/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 PLA2G10 3162/4885PLA2G5 2738/4885CA12 4164/4885

“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.