SCHEMBL3137536

SCHEMBL3137536

CC(C)(C)OC(=O)NCCCc1cccc(NS(=O)(=O)CCC2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.43
CA2 P00918 4/20 0.43
SIGMAR1 Q99720 3/20 0.42
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 1/20 0.40
ACLY P53396 1/20 0.39
EPHX1 P07099 2/20 0.38
NQO2 P16083 1/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CASP1 P29466 1/20 0.37
AKT1 P31749 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
SCHEMBL2151300 0.86 ACLY (0.44) ACLYEPHX1CASP1
SCHEMBL2151236 0.86 CA1 (0.45) CA1CA2SIGMAR1CYP3A4CYP2C19
SCHEMBL2167695 0.84 CYP3A4 (0.43) CA1CA2SIGMAR1CYP3A4CYP2C19
SCHEMBL2151154 0.83 ALDH1A1 (0.42) CA1CA2CYP3A4CYP2C19ACLY
SCHEMBL3130590 0.83 GHSR (0.48) CA1CA2NQO2CA12
SCHEMBL2151213 0.82 CA1 (0.38) CA1CA2ACLYEPHX1NQO2
SCHEMBL15946037 0.81 MEN1 (0.46) ACLY
SCHEMBL3127818 0.80 SMN1; SMN2 (0.57) CA1CA2CYP3A4CYP2C19
SCHEMBL3127769 0.79 HTR6 (0.53) ACLY
SCHEMBL611537 0.79 SIGMAR1 (0.48) CA1CA2SIGMAR1CYP3A4NQO2

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 CA1 4789/4885CA2 1745/4885SIGMAR1 4154/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CA1 4789/4885CA2 1745/4885SIGMAR1 4154/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CA1 4789/4885CA2 1745/4885SIGMAR1 4154/4885

“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.