SCHEMBL3138728

SCHEMBL3138728

CC(C)(C)OC(=O)NCCC(=O)c1cccc(N(CCCCCOCc2ccccc2)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.48
IDO1 P14902 1/20 0.39
PPARA Q07869 2/20 0.38
PPARG P37231 1/20 0.38
SIGMAR1 Q99720 3/20 0.38
CYP3A4 P08684 1/20 0.37
TMEM97 Q5BJF2 1/20 0.37
MAPT P10636 1/20 0.36
CTSS P25774 1/20 0.36
BCHE P06276 1/20 0.36
CNR2 P34972 1/20 0.36
EPHX2 P34913 2/20 0.36
SYK P43405 1/20 0.36
NR1H4 Q96RI1 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL3135260 0.88 HDAC1 (0.37) IDO1SIGMAR1CYP3A4TMEM97MAPT
SCHEMBL2151042 0.88 SIGMAR1 (0.48) L3MBTL1IDO1SIGMAR1CYP3A4TMEM97
SCHEMBL2779187 0.85 SIGMAR1 (0.45) IDO1SIGMAR1CYP3A4TMEM97CTSS
SCHEMBL2164881 0.84 NR1H4 (0.45) L3MBTL1IDO1SIGMAR1CYP3A4TMEM97
SCHEMBL2818137 0.83 L3MBTL1 (0.46) L3MBTL1IDO1PPARAMAPTCTSS
SCHEMBL2168456 0.81 NR1H4 (0.44) L3MBTL1IDO1SIGMAR1TMEM97CTSS
SCHEMBL2164206 0.79 SIGMAR1 (0.44) IDO1SIGMAR1TMEM97CTSSNR1H4
SCHEMBL2818140 0.78 L3MBTL1 (0.50) L3MBTL1PPARAPPARGMAPTCTSS
SCHEMBL2176308 0.77 L3MBTL1 (0.50) L3MBTL1IDO1PPARAMAPTCTSS
SCHEMBL30958382 0.77 L3MBTL1 (0.60) L3MBTL1IDO1PPARACYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 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 (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-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 L3MBTL1 4107/4885IDO1 3948/4885PPARA 607/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 L3MBTL1 4107/4885IDO1 3948/4885PPARA 607/4885

“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.