SCHEMBL1127685

SCHEMBL1127685

COCCn1ccc(-c2ccsc2)c1C(=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 1/20 0.34
ALOX15 P16050 1/20 0.34
GPR35 Q9HC97 1/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
SLC6A9 P48067 1/20 0.34
KDM4E B2RXH2 5/20 0.33
ALDH1A1 P00352 4/20 0.33
GFER P55789 1/20 0.33
FYN P06241 1/20 0.33
NR4A2 P43354 1/20 0.33
KLKB1 P03952 1/20 0.32
HPGD P15428 1/20 0.32
HRH2 P25021 1/20 0.32
HRH1 P35367 1/20 0.32

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
SCHEMBL1127404 0.86 HSD17B10 (0.41) POLBMEN1KMT2AMAPTHSD17B10
SCHEMBL1127046 0.73 CNR1 (0.46) KMT2ACNR1CNR2KDM4EALDH1A1
SCHEMBL1988133 0.70 DRD2 (0.39) POLBKMT2AMAPTUSP2ALDH1A1
SCHEMBL15162449 0.70 ALDH1A1 (0.42) MEN1KMT2AHSD17B10ALOX15CNR1
SCHEMBL15161955 0.70 SMN1; SMN2 (0.44) POLBMAPTCNR1CNR2KDM4E
SCHEMBL1127699 0.68 ALDH1A1 (0.44) POLBMEN1KMT2AMAPTHSD17B10
SCHEMBL1127835 0.68 L3MBTL1 (0.43) MAPTCNR1CNR2KDM4EHPGD
SCHEMBL1126908 0.64 ALDH1A1 (0.38) MEN1KMT2AMAPTCNR1CNR2
SCHEMBL16588838 0.64 ALDH1A1 (0.44) MEN1KMT2AMAPTHSD17B10ALOX15
SCHEMBL1126698 0.64 POLB (0.38) POLBHSD17B10KDM4EALDH1A1FYN

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 POLB 3827/4885MEN1 77/4885KMT2A 3996/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 POLB 3827/4885MEN1 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.