SCHEMBL1126556

SCHEMBL1126556

COC(=O)Cn1ccc(C2CCC2)c1C(=O)C(=O)Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
ATM Q13315 1/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 2/20 0.34
OPRK1 P41145 2/20 0.33
OPRM1 P35372 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31
LMNA P02545 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
TSHR P16473 1/20 0.31
OPRL1 P41146 1/20 0.31

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
SCHEMBL15162079 0.82 ALDH1A1 (0.32) PTGDRPTGDR2ATMKDM4EALDH1A1
SCHEMBL1990193 0.74 KDM4E (0.37) ATMKDM4EALDH1A1GAASMN1; SMN2
SCHEMBL15162305 0.72 KDM4E (0.46) KDM4EALDH1A1GAASMN1; SMN2POLB
SCHEMBL1127446 0.68 MIF (0.38) KDM4EALDH1A1GAASMN1; SMN2POLB
SCHEMBL1126971 0.65 KDM4E (0.39) PTGDRPTGDR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL23213584 0.64 POLB (0.44) PTGDRPTGDR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL667245 0.62 ALDH1A1 (0.59) ATMKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL23797024 0.61 SMN1; SMN2 (0.36) PTGDRPTGDR2KDM4EALDH1A1OPRK1
SCHEMBL1646676 0.61 L3MBTL1 (0.39) PTGDR2ATMKDM4EALDH1A1GAA
SCHEMBL1127844 0.59 KDM4E (0.41) KDM4EALDH1A1GAASMN1; SMN2POLB

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 PTGDR 3438/4885PTGDR2 3851/4885ATM 4142/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 PTGDR 3438/4885PTGDR2 3851/4885ATM 4142/4885

“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.