SCHEMBL1127048

SCHEMBL1127048

O=C(O)Cn1ccc(-c2cccs2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.47
APEX1 P27695 1/20 0.45
KDM4E B2RXH2 4/20 0.42
TDP1 Q9NUW8 3/20 0.42
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 4/20 0.42
SRC P12931 1/20 0.41
SLC6A9 P48067 1/20 0.41
PTPN1 P18031 1/20 0.40
GRIN2B Q13224 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
FFAR1 O14842 1/20 0.40
HPGD P15428 3/20 0.39
HDAC2 Q92769 1/20 0.39
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 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
SCHEMBL1126717 0.82 NR4A2 (0.43) KDM4EPOLBALDH1A1GRIN2BHPGD
SCHEMBL1126991 0.76 AKR1B1 (0.61) AKR1B1APEX1KDM4EL3MBTL1ALDH1A1
SCHEMBL4894394 0.76 KDM4E (0.50) APEX1KDM4ETDP1POLBL3MBTL1
SCHEMBL7826357 0.73 EGLN1 (0.47) APEX1KDM4ETDP1POLBL3MBTL1
SCHEMBL1126680 0.72 KDM4E (0.41) KDM4EALDH1A1HPGDMAPTHSD17B10
SCHEMBL9401067 0.71 CYP3A4 (0.41) KDM4ETDP1L3MBTL1ALDH1A1EGLN1
Propionic Acid SCHEMBL5934734 0.68 FFAR1 (0.51) KDM4EALDH1A1SRCSLC6A9PTPN1
SCHEMBL28611069 0.68 CA12 (0.51) AKR1B1APEX1KDM4ETDP1POLB
SCHEMBL6516216 0.67 LTA4H (0.59) AKR1B1KDM4EALDH1A1FFAR1HDAC2
Acetic Acid SCHEMBL27477993 0.66 KDM4E (0.52) KDM4EL3MBTL1ALDH1A1PTPN1FFAR1

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 AKR1B1 48/4885APEX1 452/4885KDM4E 1706/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 AKR1B1 48/4885APEX1 452/4885KDM4E 1706/4885

“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.