SCHEMBL1126972

SCHEMBL1126972

COCCCn1c(C)c(C(=O)OC)c(-c2ccccc2)c1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.56
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 1/20 0.42
TP53 P04637 2/20 0.42
TRPV4 Q9HBA0 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 1/20 0.41
MAPK8 P45983 2/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
MCL1 Q07820 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL1990335 0.94 AR (0.57) ARLMNATDP1ALDH1A1KMT2A
SCHEMBL1126728 0.91 AR (0.44) ARTDP1ALDH1A1KMT2ATP53
SCHEMBL16161726 0.86 AR (0.40) ARTDP1ALDH1A1KMT2ATP53
SCHEMBL1127384 0.84 AR (0.46) ARLMNATDP1ALDH1A1KMT2A
SCHEMBL1126743 0.80 AR (0.49) ARLMNAALDH1A1KMT2ATP53
SCHEMBL3491860 0.79 TDP1 (0.44) ARLMNATDP1ALDH1A1KMT2A
SCHEMBL16161725 0.78 HTT (0.37) ARTDP1ALDH1A1KMT2ATP53
SCHEMBL1127403 0.77 MEN1 (0.49) ARALDH1A1KMT2ATSHRKDM4E
SCHEMBL15162395 0.77 TSHR (0.53) ARLMNATDP1ALDH1A1KMT2A
SCHEMBL1126643 0.77 TSHR (0.54) ARLMNATDP1ALDH1A1KMT2A

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 2125/4885LMNA 3641/4885TDP1 903/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 AR 2125/4885LMNA 3641/4885TDP1 903/4885

“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.