SCHEMBL2177713

SCHEMBL2177713

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
BACE1 P56817 7/20 0.44
IDO1 P14902 1/20 0.41
AKT1 P31749 2/20 0.40
ITGB1 P05556 2/20 0.40
ITGA4 P13612 2/20 0.40
CTSS P25774 2/20 0.39
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
NPC1 O15118 1/20 0.39
JAK2 O60674 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
PTGES O14684 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL2178099 0.94 IDO1 (0.42) BACE1IDO1AKT1ITGB1ITGA4
SCHEMBL2158118 0.87 SIGMAR1 (0.43) BACE1IDO1CTSSCTSLCTSB
SCHEMBL2176308 0.84 L3MBTL1 (0.50) BACE1IDO1CTSSHTT
SCHEMBL2179437 0.83 ITGB1 (0.40) BACE1ITGB1ITGA4CTSKMEN1
SCHEMBL2167444 0.82 EPHX1 (0.36) IDO1ITGB1ITGA4NR1H4
SCHEMBL2821039 0.82 GPR88 (0.39) BACE1IDO1ITGB1ITGA4CTSS
SCHEMBL2818137 0.81 L3MBTL1 (0.46) BACE1IDO1CTSSHTT
SCHEMBL614479 0.81 CTSK (0.47) IDO1CTSSCTSLCTSBCTSK
SCHEMBL2797442 0.80 EPHX1 (0.36) CTSSCTSKNR1H4MEN1KMT2A
SCHEMBL2168456 0.80 NR1H4 (0.44) IDO1AKT1CTSSCTSLCTSB

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 BACE1 1143/4885IDO1 3948/4885AKT1 3453/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 BACE1 1143/4885IDO1 3948/4885AKT1 3453/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 BACE1 1143/4885IDO1 3948/4885AKT1 3453/4885

“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.