SCHEMBL2821039

SCHEMBL2821039

CCCC(CCC)CN(C(=O)O)c1cccc(C(O)CCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 1/20 0.39
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSK P43235 5/20 0.35
BACE1 P56817 3/20 0.35
NQO2 P16083 1/20 0.35
KCNA5 P22460 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
CTSS P25774 1/20 0.34
MALT1 Q9UDY8 1/20 0.34
IDO1 P14902 1/20 0.34
DRD2 P14416 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
SYK P43405 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
SCHEMBL2179437 0.92 ITGB1 (0.40) GPR88MEN1GAAKMT2ACTSK
SCHEMBL2178099 0.85 IDO1 (0.42) MEN1KMT2ACTSKBACE1ITGB1
SCHEMBL2157516 0.83 MEN1 (0.36) GPR88MEN1GAAKMT2ACTSK
SCHEMBL2158118 0.82 SIGMAR1 (0.43) CTSKBACE1CTSSIDO1
SCHEMBL2177713 0.82 BACE1 (0.44) MEN1KMT2ACTSKBACE1ITGB1
SCHEMBL2797442 0.81 EPHX1 (0.36) GPR88MEN1GAAKMT2ACTSK
SCHEMBL1710754 0.77 GPR88 (0.39) GPR88MEN1GAAKMT2ACTSK
SCHEMBL2818137 0.77 L3MBTL1 (0.46) BACE1CTSSIDO1SYK
SCHEMBL2821042 0.77 CTSK (0.40) CTSKCTSSCA2
SCHEMBL16084764 0.76 RIPK1 (0.53) GPR88MEN1GAAKMT2ACTSK

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 6 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
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 GPR88 1653/4885MEN1 3659/4885GAA 34/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 GPR88 1653/4885MEN1 3659/4885GAA 34/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 GPR88 1653/4885MEN1 3659/4885GAA 34/4885

“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.