SCHEMBL1127080

SCHEMBL1127080

CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(C)c1CC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.55
ALDH1A1 P00352 5/20 0.55
MAPT P10636 5/20 0.55
KDM4E B2RXH2 5/20 0.55
HPGD P15428 4/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
GAA P10253 4/20 0.55
LMNA P02545 3/20 0.55
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TDP1 Q9NUW8 1/20 0.50
GRM6 O15303 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
GRIA2 P42262 1/20 0.47
GRIA4 P48058 1/20 0.47
ADORA3 P0DMS8 3/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL1126962 0.90 TSHR (0.53) TSHRALDH1A1MAPTKDM4EHPGD
SCHEMBL1991365 0.86 TSHR (0.50) TSHRALDH1A1MAPTKDM4EHPGD
SCHEMBL1127045 0.86 TSHR (0.68) TSHRALDH1A1MAPTKDM4EHPGD
SCHEMBL1127258 0.83 MAPT (0.48) TSHRALDH1A1MAPTKDM4EHPGD
SCHEMBL1126572 0.82 MAPT (0.50) TSHRALDH1A1MAPTKDM4EHPGD
SCHEMBL1126966 0.82 TSHR (0.53) TSHRALDH1A1MAPTKDM4EHPGD
SCHEMBL4372732 0.80 GRIA4 (0.76) GRIA2GRIA4
SCHEMBL21484965 0.79 TSHR (0.55) TSHRALDH1A1MAPTKDM4EHPGD
SCHEMBL1126797 0.79 GRIA4 (0.63) GRIA2GRIA4
SCHEMBL1127099 0.77 TSHR (0.57) TSHRALDH1A1MAPTKDM4EHPGD

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 TSHR 1769/4885ALDH1A1 219/4885MAPT 1696/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 TSHR 1769/4885ALDH1A1 219/4885MAPT 1696/4885

“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.