SCHEMBL3135148

SCHEMBL3135148

CC(C)S(=O)(=O)Nc1cccc(OCCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.54
CA2 P00918 7/20 0.54
CA12 O43570 5/20 0.54
CA9 Q16790 5/20 0.54
ITK Q08881 3/20 0.48
EGFR P00533 2/20 0.48
PDK2 Q15119 1/20 0.48
F2 P00734 2/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
ADRB3 P13945 1/20 0.44
ADRA1A P35348 1/20 0.44
MAPT P10636 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
NQO2 P16083 1/20 0.41

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
SCHEMBL3134159 0.92 CA1 (0.50) CA1CA2CA12CA9ITK
SCHEMBL3128322 0.90 CA1 (0.48) CA1CA2CA12CA9ITK
SCHEMBL3132409 0.81 CA1 (0.48) CA1CA2CA12CA9ITK
SCHEMBL13379588 0.81 DRD2 (0.51) F2DRD2DRD4DRD3ADRB3
SCHEMBL13355728 0.80 DRD2 (0.50) F2DRD2DRD4DRD3ADRB3
SCHEMBL23729233 0.80 CA12 (0.57) CA1CA2CA12CA9PDK2
SCHEMBL30441709 0.80 CA12 (0.57) CA1CA2CA12CA9PDK2
SCHEMBL13270629 0.78 POLB (0.62) CA1CA2CA12CA9PDK2
SCHEMBL91150 0.78 CA12 (0.56) CA1CA2CA12CA9ITK
SCHEMBL15945993 0.78 DRD2 (0.47) F2DRD2DRD4DRD3ADRB3

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.