SCHEMBL1990961

SCHEMBL1990961

Cc1c(C(=O)O)c(-c2cccs2)c(C(=O)O)n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.45
FEN1 P39748 1/20 0.45
ERCC4 Q92889 1/20 0.45
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
GRIA2 P42262 1/20 0.41
GRIA4 P48058 1/20 0.41
KDM4E B2RXH2 6/20 0.40
LMNA P02545 3/20 0.39
MIF P14174 1/20 0.39
ALDH1A1 P00352 6/20 0.39
GAA P10253 3/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 3/20 0.38
USP2 O75604 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 2/20 0.38

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
SCHEMBL1991026 0.77 ALDH1A1 (0.56) KDM4ELMNAALDH1A1GAAPOLB
SCHEMBL1127287 0.76 GRIA4 (0.60) GRIA2GRIA4LMNAUSP2MEN1
SCHEMBL7843305 0.74 LMNA (0.48) ERCC1FEN1ERCC4NPC1RAB9A
SCHEMBL8288420 0.74 GRIA4 (0.71) GRIA2GRIA4
SCHEMBL30174249 0.71 ALDH1A1 (0.43) ERCC1FEN1ERCC4NPC1RAB9A
SCHEMBL1127114 0.71 L3MBTL1 (0.44) RAB9AGRIA2GRIA4KDM4EALDH1A1
SCHEMBL26597135 0.71 GRIA2 (0.46) GRIA2GRIA4USP2MEN1KMT2A
SCHEMBL24584762 0.70 GRIA4 (0.50) GRIA2GRIA4LMNAUSP2MEN1
SCHEMBL27490522 0.70 KDM4E (0.52) ERCC1FEN1ERCC4KDM4ELMNA
SCHEMBL5949854 0.69 KDM4E (0.44) ERCC1FEN1ERCC4NPC1RAB9A

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 7 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

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 ERCC1 4586/4885FEN1 445/4885ERCC4 4620/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ERCC1 4586/4885FEN1 445/4885ERCC4 4620/4885

“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.