SCHEMBL3132409

SCHEMBL3132409

CC(C)(C)OC(=O)NCCOc1cccc(NS(=O)(=O)C2CCCCC2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.48
CA2 P00918 6/20 0.48
CA12 O43570 5/20 0.48
CA9 Q16790 5/20 0.48
ADRB3 P13945 3/20 0.45
ALDH1A1 P00352 1/20 0.44
PDK2 Q15119 1/20 0.43
EGFR P00533 2/20 0.42
ITK Q08881 2/20 0.42
CTPS1 P17812 1/20 0.42
NPC1 O15118 1/20 0.42
PKM P14618 1/20 0.42
EPHX2 P34913 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
F2 P00734 1/20 0.41
ADRA1A P35348 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL2150553 0.86 NPC1 (0.49) ADRB3ALDH1A1CTPS1NPC1PKM
SCHEMBL13323820 0.82 CA1 (0.43) CA1CA2ALDH1A1PKMEPHX2
SCHEMBL2151236 0.82 CA1 (0.45) CA1CA2CA12CA9ALDH1A1
SCHEMBL13379555 0.82 ADRB3 (0.49) ADRB3ALDH1A1CTPS1F2ADRA1A
SCHEMBL3135148 0.81 CA1 (0.54) CA1CA2CA12CA9ADRB3
SCHEMBL3136938 0.81 CA1 (0.43) CA1CA2ALDH1A1EPHX2SMN1; SMN2
SCHEMBL3136021 0.81 ADRB3 (0.46) CA1CA2ADRB3ALDH1A1EPHX2
SCHEMBL13355599 0.80 ADRB3 (0.47) ADRB3ALDH1A1CTPS1F2ADRA1A
SCHEMBL15946005 0.80 CTPS1 (0.54) ADRB3CTPS1ADRA1ADRD2DRD4
SCHEMBL3125471 0.80 ADRB3 (0.46) CA1CA2ADRB3ALDH1A1EPHX2

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 1745/4885CA12 3060/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CA1 4789/4885CA2 1745/4885CA12 3060/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CA1 4789/4885CA2 1745/4885CA12 3060/4885

“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.