SCHEMBL1126910

SCHEMBL1126910

CCCOCn1c(C)c(C(=O)O)c(-c2ccccc2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.43
GRIA4 P48058 3/20 0.40
GRIA2 P42262 2/20 0.40
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
ATM Q13315 1/20 0.37
GFER P55789 1/20 0.37
PTGES O14684 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL1127128 0.93 AR (0.41) ARGRIA4GRIA2KDM4EGAA
SCHEMBL1126762 0.90 AR (0.43) ARGRIA4GRIA2ALDH1A1MAPT
SCHEMBL1127194 0.89 AR (0.43) ARGRIA4GRIA2ALDH1A1MAPT
SCHEMBL1126786 0.84 TSHR (0.50) ARALDH1A1MAPTKDM4EHPGD
SCHEMBL1127427 0.82 KDM4E (0.45) ARGRIA4GRIA2ALDH1A1MAPT
SCHEMBL1988958 0.82 KDM4E (0.49) ARGRIA4GRIA2ALDH1A1MAPT
SCHEMBL1127111 0.82 KDM4E (0.45) ARGRIA4GRIA2ALDH1A1MAPT
SCHEMBL1127403 0.80 MEN1 (0.49) ARGRIA4GRIA2ALDH1A1MAPT
SCHEMBL1127384 0.79 AR (0.46) ARGRIA4GRIA2ALDH1A1HPGD
SCHEMBL15161818 0.77 TSHR (0.48) ARALDH1A1MAPTKDM4EHPGD

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 AR 2125/4885GRIA4 2979/4885GRIA2 2791/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 AR 2125/4885GRIA4 2979/4885GRIA2 2791/4885

“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.