SCHEMBL1126728

SCHEMBL1126728

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.44
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 1/20 0.42
KMT2A Q03164 2/20 0.42
TRPV4 Q9HBA0 1/20 0.41
MEN1 O00255 1/20 0.41
MCL1 Q07820 2/20 0.41
CDC7 O00311 1/20 0.40
EEF2K O00418 1/20 0.40
DAPK3 O43293 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
RPS6KB1 P23443 1/20 0.40
MARK3 P27448 1/20 0.40
AXL P30530 1/20 0.40
AKT2 P31751 1/20 0.40
CSNK1A1 P48729 1/20 0.40
MAPKAPK2 P49137 1/20 0.40
GSK3B P49841 1/20 0.40
IRAK1 P51617 1/20 0.40

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
SCHEMBL1127384 0.92 AR (0.46) ARALDH1A1TDP1KMT2AMEN1
SCHEMBL1126972 0.91 AR (0.56) ARALDH1A1TDP1KMT2ATRPV4
SCHEMBL16161726 0.89 AR (0.40) ARALDH1A1TDP1KMT2ATRPV4
SCHEMBL3491860 0.87 TDP1 (0.44) ARALDH1A1TDP1KMT2ATRPV4
SCHEMBL15162395 0.85 TSHR (0.53) ARALDH1A1TDP1KMT2ATRPV4
SCHEMBL1127403 0.85 MEN1 (0.49) ARALDH1A1KMT2AMEN1GRIA2
SCHEMBL1990335 0.85 AR (0.57) ARALDH1A1TDP1KMT2ATRPV4
SCHEMBL1127194 0.84 AR (0.43) ARALDH1A1KMT2AMEN1TP53
SCHEMBL1127427 0.82 KDM4E (0.45) ARALDH1A1KMT2AMEN1GRIA2
SCHEMBL1127125 0.82 HPGD (0.54) ARALDH1A1KMT2AMEN1MCL1

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 8 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
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 AR 2125/4885ALDH1A1 219/4885TDP1 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.