SCHEMBL1126774

SCHEMBL1126774

CC(C)c1c(C(=O)O)c(-c2ccccc2)c(C(=O)O)n1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 11/20 0.46
GRIA2 P42262 9/20 0.46
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
KDM4E B2RXH2 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
EGFR P00533 1/20 0.36
LMNA P02545 1/20 0.36
HMGCR P04035 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
NR1I2 O75469 1/20 0.35

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
SCHEMBL1127287 0.79 GRIA4 (0.60) GRIA4GRIA2FABP3FABP4MEN1
SCHEMBL1126901 0.78 ALDH1A1 (0.40) TDP1ALDH1A1TP53LMNAHMGCR
SCHEMBL1126797 0.75 GRIA4 (0.63) GRIA4GRIA2
SCHEMBL10463888 0.73 HPGD (0.48) FABP3FABP4FABP5KDM4EALDH1A1
SCHEMBL1994058 0.73 GRIA4 (0.53) GRIA4GRIA2
SCHEMBL28630564 0.72 GRIA4 (0.56) GRIA4GRIA2FABP3FABP4MEN1
SCHEMBL19663897 0.70 GRIA4 (0.61) GRIA4GRIA2KMT2ASMN1; SMN2LMNA
SCHEMBL24584785 0.70 GRIA4 (0.57) GRIA4GRIA2KDM4ETDP1KMT2A
SCHEMBL5503444 0.70 CYP1A2 (0.41) GRIA4GRIA2FABP3FABP4FABP5
SCHEMBL1126733 0.70 GRIA4 (0.47) GRIA4GRIA2TP53

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 GRIA4 2979/4885GRIA2 2791/4885FABP3 4805/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 GRIA4 2979/4885GRIA2 2791/4885FABP3 4805/4885

“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.