SCHEMBL1991365

SCHEMBL1991365

CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(C)c1CCOC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 7/20 0.49
MAPT P10636 6/20 0.49
ALDH1A1 P00352 5/20 0.49
KDM4E B2RXH2 5/20 0.49
HPGD P15428 4/20 0.49
GAA P10253 4/20 0.49
LMNA P02545 3/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TP53 P04637 3/20 0.47
TDP1 Q9NUW8 1/20 0.45
GRM6 O15303 1/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HSD17B10 Q99714 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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 0.89 TSHR (0.53) TSHRSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL1127080 0.86 TSHR (0.55) TSHRSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL1127258 0.82 MAPT (0.48) TSHRSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL1126733 0.81 GRIA4 (0.47) TP53
SCHEMBL1127045 0.81 TSHR (0.68) TSHRSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL1126643 0.80 TSHR (0.54) TSHRSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL1126572 0.77 MAPT (0.50) TSHRSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL1126966 0.77 TSHR (0.53) TSHRSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL1126660 0.76 MAPT (0.46) TSHRSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL28645817 0.75 TSHR (0.54) TSHRSMN1; SMN2MAPTALDH1A1KDM4E

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-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

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 1769/4885SMN1; SMN2 2831/4885MAPT 1696/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 TSHR 1769/4885SMN1; SMN2 2831/4885MAPT 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.