SCHEMBL1127225

SCHEMBL1127225

COCn1cc(-c2ccccc2)cc1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
GFER P55789 1/20 0.39
CYP2C19 P33261 1/20 0.39
CNR1 P21554 1/20 0.38
BRD4 O60885 1/20 0.38
EGFR P00533 1/20 0.38
LDHA P00338 2/20 0.38
NR4A2 P43354 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 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
SCHEMBL1126922 0.88 MAPT (0.43) CCNCCDK8CYP2C19EGFRLDHA
SCHEMBL16588812 0.85 CCNC (0.38) CCNCCDK8GFERCYP2C19CNR1
SCHEMBL1988726 0.85 CCNC (0.40) CCNCCDK8GFERCYP2C19CNR1
SCHEMBL1127347 0.85 CNR1 (0.50) CCNCCDK8CYP2C19CNR1NR4A2
SCHEMBL2834581 0.82 CCNC (0.43) CCNCCDK8GFERBRD4LDHA
SCHEMBL1126777 0.76 COMT (0.38) GFERCYP2C19CNR1BRD4EGFR
SCHEMBL1127167 0.74 BRD4 (0.37) CNR1BRD4KDM4ENPC1ALDH1A1
SCHEMBL1126837 0.74 BRD4 (0.37) GFERCYP2C19CNR1BRD4KDM4E
SCHEMBL1126815 0.73 BRD4 (0.58) CCNCCDK8BRD4LDHANR4A2
SCHEMBL12584500 0.73 CCNC (0.54) CCNCCDK8KDM4EALDH1A1TP53

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 CCNC 2243/4885CDK8 3349/4885GFER 1780/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 CCNC 2243/4885CDK8 3349/4885GFER 1780/4885

“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.