SCHEMBL3133639

SCHEMBL3133639

[2H]C([2H])(N)CC(O)c1cccc(NS(=O)(=O)C2CCCCC2)c1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 5/20 0.45
ADRA1A P35348 1/20 0.41
MAP2K4 P45985 1/20 0.39
BRD4 O60885 3/20 0.39
LMNA P02545 1/20 0.38
BRPF1 P55201 1/20 0.38
PGAM1 P18669 1/20 0.38
OPRM1 P35372 1/20 0.36
SGK1 O00141 1/20 0.36

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
SCHEMBL3128399 0.91 ADRB3 (0.47) ADRB3ADRA1AMAP2K4BRD4LMNA
SCHEMBL3133931 0.90 ADRB3 (0.47) ADRB3ADRA1AMAP2K4BRD4LMNA
SCHEMBL15946051 0.89 ADRB3 (0.47) ADRB3ADRA1AMAP2K4BRD4LMNA
SCHEMBL2778772 0.89 ADRB3 (0.45) ADRB3ADRA1AMAP2K4BRD4LMNA
SCHEMBL2151244 0.87 ADRB3 (0.45) ADRB3ADRA1AMAP2K4BRD4LMNA
SCHEMBL15945990 0.86 ADRB3 (0.49) ADRB3ADRA1AMAP2K4BRD4LMNA
SCHEMBL15946030 0.85 ADRB3 (0.49) ADRB3ADRA1AMAP2K4BRD4LMNA
SCHEMBL15946064 0.84 ADRB3 (0.49) ADRB3ADRA1AMAP2K4BRD4LMNA
SCHEMBL2151246 0.82 ADRB3 (0.48) ADRB3ADRA1AMAP2K4BRD4LMNA
SCHEMBL2150889 0.81 ADRB3 (0.49) ADRB3ADRA1AMAP2K4BRD4LMNA

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
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
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 ADRB3 763/4885ADRA1A 1866/4885MAP2K4 4864/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 ADRB3 763/4885ADRA1A 1866/4885MAP2K4 4864/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 ADRB3 763/4885ADRA1A 1866/4885MAP2K4 4864/4885

“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.