SCHEMBL2178339

SCHEMBL2178339

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

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 1/20 0.38
PPARG P37231 1/20 0.37
MAPT P10636 3/20 0.35
MCHR1 Q99705 1/20 0.35
MAPK14 Q16539 1/20 0.34
LTA4H P09960 1/20 0.34
LMNA P02545 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SIRT2 Q8IXJ6 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
SCHEMBL2177786 0.92 CCR4 (0.37) CCR4PPARGMAPTMCHR1LMNA
SCHEMBL2176613 0.91 CCR4 (0.36) CCR4PPARGMAPTMCHR1LTA4H
SCHEMBL2178011 0.89 CCR4 (0.38) CCR4PPARGMAPTMCHR1MAPK14
SCHEMBL2174961 0.89 CCR4 (0.38) CCR4PPARGMCHR1NPC1ALDH1A1
SCHEMBL2174575 0.88 MTNR1A (0.38) CCR4PPARGMAPTNPC1ALDH1A1
SCHEMBL2175792 0.88 CCR4 (0.43) CCR4PPARGMCHR1ALDH1A1RAB9A
SCHEMBL2175778 0.88 CYP2D6 (0.38) CCR4PPARGMCHR1NPC1ALDH1A1
SCHEMBL2175710 0.88 MAPT (0.40) CCR4PPARGMAPTLMNANPC1
SCHEMBL2176775 0.87 CYP2D6 (0.37) CCR4MAPTMCHR1NPC1ALDH1A1
SCHEMBL2175171 0.85 CCR4 (0.39) CCR4PPARGMAPTMCHR1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US disclosed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US 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 4278/4885PPARG 3585/4885MAPT 3226/4885

“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.