SCHEMBL2797442

SCHEMBL2797442

CC(C)(C)OC(=O)NCCC(O)c1cccc(N(CC2CCCC2)C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
ACACB O00763 2/20 0.35
ACACA Q13085 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
BCHE P06276 1/20 0.35
GPR88 Q9GZN0 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
OPRK1 P41145 3/20 0.34
OPRD1 P41143 2/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
NQO2 P16083 1/20 0.34

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
SCHEMBL2167444 0.93 EPHX1 (0.36) EPHX1NR1H4BCHEGPR88OPRK1
SCHEMBL2166671 0.88 EPHX1 (0.39) EPHX1BCHEOPRK1OPRD1CTSS
SCHEMBL2150626 0.86 ITGB1 (0.38) NR1H4BCHEOPRK1OPRD1
SCHEMBL2150631 0.86 ITGB1 (0.38) NR1H4BCHEOPRK1OPRD1
SCHEMBL2178099 0.84 IDO1 (0.42) NR1H4MEN1KMT2ACTSSCTSK
SCHEMBL2167447 0.82 EPHX1 (0.37) EPHX1ACACBACACABCHEGPR88
SCHEMBL2821039 0.81 GPR88 (0.39) GPR88MEN1GAAKMT2ACTSS
SCHEMBL2150723 0.81 ACACB (0.40) EPHX1ACACBACACANR1H4MEN1
SCHEMBL2158118 0.80 SIGMAR1 (0.43) OPRK1CTSSCTSK
SCHEMBL2177713 0.80 BACE1 (0.44) NR1H4MEN1KMT2ACTSSCTSK

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 EPHX1 1460/4885ACACB 325/4885ACACA 541/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 EPHX1 1460/4885ACACB 325/4885ACACA 541/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 EPHX1 1460/4885ACACB 325/4885ACACA 541/4885

“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.