SCHEMBL3137265

SCHEMBL3137265

CC(C)(C)OC(=O)NCCC(O)c1cccc(NCCCC2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.43
IDO1 P14902 1/20 0.39
EPHX1 P07099 1/20 0.39
CASR P41180 1/20 0.38
KLKB1 P03952 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
FAAH O00519 1/20 0.38
PTGS2 P35354 1/20 0.38
CTSL P07711 1/20 0.37
CTSS P25774 1/20 0.37

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
SCHEMBL13323791 0.90 OPRK1 (0.42) IDO1EPHX1CASRCA1CA2
SCHEMBL2150978 0.86 CASR (0.39) EPHX1CASRCTSLCTSS
SCHEMBL2151213 0.84 CA1 (0.38) IDO1EPHX1CASRKLKB1CA1
SCHEMBL2167735 0.84 CA1 (0.42) IDO1CA1CA2
SCHEMBL612000 0.83 EPHX1 (0.41) IDO1EPHX1FAAHPTGS2
SCHEMBL2150800 0.83 TDP1 (0.51) IDO1CA1CA2
SCHEMBL2150704 0.83 LMNA (0.58) IDO1
SCHEMBL2150909 0.82 MEN1 (0.39) CASR
SCHEMBL15945999 0.82 CASR (0.39) GPR119CASRCTSLCTSS
SCHEMBL3131518 0.82 GPR119 (0.41) GPR119CASR

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 5 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

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 GPR119 630/4885IDO1 3948/4885EPHX1 1460/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 GPR119 630/4885IDO1 3948/4885EPHX1 1460/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 GPR119 630/4885IDO1 3948/4885EPHX1 1460/4885

“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.