SCHEMBL1127114

SCHEMBL1127114

Cc1c(C(=O)O)c(-c2ccco2)c(C(=O)O)n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.44
POLB P06746 3/20 0.44
CTDSP1 Q9GZU7 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 7/20 0.43
RAB9A P51151 1/20 0.43
GRIA2 P42262 1/20 0.41
GRIA4 P48058 1/20 0.41
TSHR P16473 2/20 0.40
USP2 O75604 2/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
KEAP1 Q14145 1/20 0.38
MEN1 O00255 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
SCHEMBL15162320 0.88 HSP90AA1 (0.47) L3MBTL1POLBCTDSP1TDP1ALDH1A1
SCHEMBL25529106 0.82 L3MBTL1 (0.44) L3MBTL1POLBCTDSP1TDP1ALDH1A1
SCHEMBL23488197 0.77 L3MBTL1 (0.61) L3MBTL1POLBTDP1ALDH1A1RAB9A
SCHEMBL1127287 0.76 GRIA4 (0.60) GRIA2GRIA4TSHRUSP2CYP1A2
SCHEMBL1030274 0.75 POLB (0.46) L3MBTL1POLBCTDSP1TDP1ALDH1A1
SCHEMBL1127410 0.73 L3MBTL1 (0.44) L3MBTL1POLBCTDSP1TDP1ALDH1A1
SCHEMBL25529288 0.73 L3MBTL1 (0.41) L3MBTL1POLBCTDSP1TDP1ALDH1A1
SCHEMBL30174300 0.71 L3MBTL1 (0.39) L3MBTL1POLBCTDSP1TDP1ALDH1A1
SCHEMBL1990961 0.71 ERCC1 (0.45) POLBALDH1A1RAB9AGRIA2GRIA4
SCHEMBL26597135 0.71 GRIA2 (0.46) GRIA2GRIA4TSHRUSP2MEN1

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021110010-A1 NOVEL PYRROLE COMPOUND 微境生物医药科技(上海)有限公司 2021-06-10 WO disclosed
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 L3MBTL1 1045/4885POLB 3827/4885CTDSP1 2689/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 L3MBTL1 1045/4885POLB 3827/4885CTDSP1 2689/4885

“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.