SCHEMBL2177786

SCHEMBL2177786

Cc1c(Cn2ccc(OCCc3cccs3)cc2=O)cccc1NCC(N)=O

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.37
SIRT2 Q8IXJ6 1/20 0.36
PPARG P37231 1/20 0.36
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
POLB P06746 1/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MCHR1 Q99705 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
SCHEMBL2178339 0.92 CCR4 (0.38) CCR4SIRT2PPARGALDH1A1SMN1; SMN2
SCHEMBL2176613 0.90 CCR4 (0.36) CCR4PPARGMAPTLMNAMCHR1
SCHEMBL2178011 0.88 CCR4 (0.38) CCR4PPARGALDH1A1SMN1; SMN2MAPT
SCHEMBL2174961 0.88 CCR4 (0.38) CCR4PPARGALDH1A1SMN1; SMN2NPC1
SCHEMBL2174575 0.87 MTNR1A (0.38) CCR4PPARGALDH1A1SMN1; SMN2MAPT
SCHEMBL2175778 0.87 CYP2D6 (0.38) CCR4PPARGALDH1A1SMN1; SMN2TSHR
SCHEMBL2175792 0.87 CCR4 (0.43) CCR4PPARGALDH1A1SMN1; SMN2RAB9A
SCHEMBL2175710 0.87 MAPT (0.40) CCR4SIRT2PPARGALDH1A1SMN1; SMN2
SCHEMBL2176775 0.86 CYP2D6 (0.37) CCR4ALDH1A1SMN1; SMN2POLBMAPT
SCHEMBL2174669 0.85 CCR4 (0.37) CCR4PPARGMCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1948601-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME Crystalgenomics, Inc. (KR) 2008-07-30 EP claimed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US claimed
WO-2007043835-A1 FAB I INHIBITOR AND PROCESS FOR PREPARING SAME CRYSTALGENOMICS, INC. (KR) 2007-04-19 WO claimed
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 CCR4 4278/4885SIRT2 2632/4885PPARG 3585/4885

“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.