SCHEMBL1127404

SCHEMBL1127404

CCOC(=O)C(=O)c1c(-c2ccsc2)ccn1CCOC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 4/20 0.37
POLB P06746 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL1127685 0.86 POLB (0.39) HSD17B10MEN1KMT2AUSP2MAPT
SCHEMBL1127046 0.68 CNR1 (0.46) KMT2AALDH1A1KDM4EL3MBTL1GAA
SCHEMBL15162449 0.67 ALDH1A1 (0.42) HSD17B10MEN1KMT2AALOX15ALDH1A1
SCHEMBL1127405 0.67 MEN1 (0.37) HSD17B10MEN1KMT2AUSP2MAPT
SCHEMBL1127699 0.65 ALDH1A1 (0.44) HSD17B10MEN1KMT2AUSP2MAPT
SCHEMBL1127835 0.65 L3MBTL1 (0.43) MAPTKDM4EL3MBTL1GAAHPGD
SCHEMBL3961016 0.65 CES2 (0.59) HSD17B10MEN1KMT2AUSP2MAPT
SCHEMBL15161955 0.64 SMN1; SMN2 (0.44) MAPTALDH1A1KDM4EPOLBGAA
SCHEMBL1126989 0.64 ALDH1A1 (0.39) HSD17B10ALOX15ALDH1A1HPGDCASP1
SCHEMBL15028901 0.63 HSD17B10 (0.60) HSD17B10MEN1KMT2AUSP2MAPT

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 HSD17B10 2503/4885MEN1 77/4885KMT2A 3996/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 HSD17B10 2503/4885MEN1 77/4885KMT2A 3996/4885

“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.