SCHEMBL2168456

SCHEMBL2168456

CC(C)(C)OC(=O)NCCC(=O)c1cccc(N(Cc2ccccc2)C(=O)OC(C)(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.44
PTPN1 P18031 1/20 0.42
IDO1 P14902 1/20 0.42
AKT1 P31749 3/20 0.42
SIGMAR1 Q99720 3/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
JAK2 O60674 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSL P07711 2/20 0.39
CTSB P07858 2/20 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
SCHEMBL2164881 0.94 NR1H4 (0.45) NR1H4PTPN1IDO1AKT1SIGMAR1
SCHEMBL2164206 0.90 SIGMAR1 (0.44) NR1H4PTPN1IDO1AKT1SIGMAR1
SCHEMBL2779187 0.87 SIGMAR1 (0.45) NR1H4PTPN1IDO1AKT1SIGMAR1
SCHEMBL2151042 0.86 SIGMAR1 (0.48) NR1H4PTPN1IDO1AKT1SIGMAR1
SCHEMBL15789261 0.82 NR1H4 (0.48) NR1H4PTPN1HDAC3HDAC1HDAC2
SCHEMBL15789270 0.82 NR1H4 (0.51) NR1H4PTPN1HDAC3HDAC1HDAC2
SCHEMBL2164212 0.81 ACE (0.42) PTPN1IDO1AKT1SIGMAR1TMEM97
SCHEMBL3138728 0.81 L3MBTL1 (0.48) NR1H4IDO1SIGMAR1TMEM97L3MBTL1
SCHEMBL3134720 0.81 EPHX1 (0.39) NR1H4NPC1RAB9AALDH1A1KMT2A
SCHEMBL2177713 0.80 BACE1 (0.44) NR1H4IDO1AKT1HDAC3HDAC1

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
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
EP-2340242-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-06 EP disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 US disclosed
WO-2010048332-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-29 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-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 NR1H4 550/4885PTPN1 4709/4885IDO1 3948/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 NR1H4 550/4885PTPN1 4709/4885IDO1 3948/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 NR1H4 550/4885PTPN1 4709/4885IDO1 3948/4885

“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.