SCHEMBL1126765

SCHEMBL1126765

O=C(O)c1c[nH]cc1-c1ccsc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 1/20 0.50
GPR35 Q9HC97 2/20 0.44
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
DAO P14920 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP2E1 P05181 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2B6 P20813 1/20 0.39
DHODH Q02127 2/20 0.39
KMT2A Q03164 1/20 0.39
NOTUM Q6P988 1/20 0.38
CHEK2 O96017 1/20 0.38
BTK Q06187 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
SCHEMBL15025193 0.79 ACMSD (0.59) ACMSDGPR35LCKFYNDAO
SCHEMBL1989501 0.77 HSD17B10 (0.56) ALDH1A1KMT2ACHEK2
SCHEMBL1526618 0.76 ACMSD (0.51) ACMSDGPR35LCKFYNDAO
SCHEMBL4533753 0.75 ALDH1A1 (0.69) ALDH1A1KMT2ANOTUM
SCHEMBL12050154 0.72 ACMSD (0.51) ACMSDGPR35LCKFYNDAO
SCHEMBL1761885 0.72 ACMSD (0.54) ACMSDGPR35LCKFYNDAO
SCHEMBL12604274 0.72 BRD4 (0.42) GPR35CYP2E1CYP2A6CYP2B6KMT2A
SCHEMBL7119865 0.71 G6PD (0.47) ACMSDGPR35LCKFYNDAO
SCHEMBL7126568 0.71 DHODH (0.51) ACMSDGPR35LCKFYNDAO
SCHEMBL16875851 0.71 ACMSD (0.50) ACMSDGPR35LCKFYNDAO

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 ACMSD 2358/4885GPR35 4636/4885LCK 3907/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 ACMSD 2358/4885GPR35 4636/4885LCK 3907/4885

“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.