SCHEMBL2174901

SCHEMBL2174901

O=c1cc(OCCCCCOCc2ccccc2)ccn1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.56
SIGMAR1 Q99720 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
MCHR1 Q99705 1/20 0.40
S1PR1 P21453 1/20 0.39
PRKX P51817 1/20 0.39
ACVR1 Q04771 1/20 0.39
S1PR5 Q9H228 1/20 0.39

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
SCHEMBL2178417 0.99 MAPK14 (0.57) MAPK14SIGMAR1MRGPRX4MCHR1S1PR1
SCHEMBL2175674 0.88 MAPK14 (0.72) MAPK14SIGMAR1MCHR1S1PR1PRKX
SCHEMBL2177276 0.84 MAPK14 (0.52) MAPK14MCHR1
SCHEMBL12408506 0.83 MAPK14 (0.75) MAPK14MCHR1
SCHEMBL2175151 0.83 LMNA (0.42) MAPK14
SCHEMBL2177627 0.83 MAPK14 (0.41) MAPK14
SCHEMBL2179771 0.83 L3MBTL1 (0.42) MAPK14
SCHEMBL2175907 0.83 MAPK14 (0.41) MAPK14
SCHEMBL2177043 0.83 MAPK14 (0.41) MAPK14
SCHEMBL2176794 0.82 MAPK14 (0.62) MAPK14MCHR1S1PR1PRKXACVR1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948601-B1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS INC (KR) 2016-04-13 EP claimed
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US claimed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US claimed
EP-1948601-B1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS INC (KR) 2016-04-13 EP disclosed
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US disclosed
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP disclosed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US disclosed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 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 (1 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-20070135465-A1 Fab I Inhibitor and Process for Preparing Same TFPI, TFPI2, FCGRT MAPK14 1791/4885SIGMAR1 3321/4885MRGPRX4 3972/4885

“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.