SCHEMBL1127071

SCHEMBL1127071

CCc1c(C(=O)O)c(-c2ccccc2)c(C(=O)O)n1CCOC

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 11/20 0.45
GRIA4 P48058 11/20 0.45
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.40
PADI4 Q9UM07 1/20 0.39
HPGD P15428 1/20 0.39
MAPK8 P45983 1/20 0.37

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
SCHEMBL1126538 0.87 GRIA2 (0.44) GRIA2GRIA4ALDH1A1HPGDMAPK8
SCHEMBL1127384 0.84 AR (0.46) GRIA2GRIA4ALDH1A1LMNATDP1
SCHEMBL1127258 0.83 MAPT (0.48) ALDH1A1LMNATDP1TP53HPGD
SCHEMBL1126901 0.81 ALDH1A1 (0.40) ALDH1A1LMNATDP1TP53PADI4
SCHEMBL1126797 0.79 GRIA4 (0.63) GRIA2GRIA4
SCHEMBL1126733 0.79 GRIA4 (0.47) GRIA2GRIA4TP53
SCHEMBL1126728 0.77 AR (0.44) GRIA2GRIA4ALDH1A1TDP1TP53
SCHEMBL1127111 0.74 KDM4E (0.45) GRIA2GRIA4ALDH1A1LMNATDP1
SCHEMBL1988897 0.74 ALDH1A1 (0.44) GRIA2GRIA4ALDH1A1LMNATDP1
SCHEMBL1127194 0.73 AR (0.43) GRIA2GRIA4ALDH1A1LMNATP53

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
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
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 (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-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 GRIA2 2791/4885GRIA4 2979/4885ALDH1A1 219/4885

“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.