SCHEMBL1127903

SCHEMBL1127903

COCCCCc1cc(C)ccc1S(=O)(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 5/20 0.36
GAA P10253 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL4 Q8NA19 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
CYP2C19 P33261 1/20 0.34
PDIA6 Q15084 1/20 0.34
MEP1B Q16820 1/20 0.34
HSD17B10 Q99714 2/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL8686435 0.95 MAPT (0.40) MAPTKDM4EHPGDMEN1KMT2A
SCHEMBL960756 0.89 HPGD (0.37) MAPTKDM4EHPGDMEN1KMT2A
SCHEMBL5718625 0.89 GAA (0.39) MAPTKDM4EHPGDMEN1KMT2A
SCHEMBL29975298 0.89 GAA (0.39) MAPTKDM4EHPGDMEN1KMT2A
SCHEMBL8086471 0.88 GAA (0.38) MAPTKDM4EHPGDMEN1KMT2A
SCHEMBL8082255 0.88 GAA (0.38) MAPTKDM4EHPGDMEN1KMT2A
SCHEMBL5718608 0.88 GAA (0.38) MAPTKDM4EHPGDMEN1KMT2A
SCHEMBL8084853 0.88 GAA (0.38) MAPTKDM4EHPGDMEN1KMT2A
SCHEMBL5718660 0.88 GAA (0.38) MAPTKDM4EHPGDMEN1KMT2A
SCHEMBL8084715 0.88 GAA (0.38) MAPTKDM4EHPGDMEN1KMT2A

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 12 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
US-20050261177-A1 Compound ASTELLAS PHARMA INC. (JP) 2005-11-24 US disclosed
EP-1366066-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-12-03 EP disclosed
WO-2002072621-A2 CYCLOHEXAPEPTIDE HAVING ANTIMICROBIAL ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-09-19 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 (3 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-20050261177-A1 Compound MANBA, MAN2B1, MAN2A1 MAPT 1629/4885KDM4E 4301/4885HPGD 3433/4885
US-20110152285-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885KDM4E 1706/4885HPGD 2971/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 MAPT 1696/4885KDM4E 1706/4885HPGD 2971/4885

“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.