SCHEMBL2197591

SCHEMBL2197591

CC(C)(C)OC(=O)N(CCC(O)c1cccc(NS(=O)(=O)c2ccccc2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.52
LIMK2 P53671 3/20 0.44
TGFBR1 P36897 1/20 0.44
HTR6 P50406 1/20 0.44
ADRB3 P13945 3/20 0.44
BACE1 P56817 3/20 0.43
PTGES O14684 1/20 0.43
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NR1H2 P55055 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
GAA P10253 1/20 0.40
HPGD P15428 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
SCHEMBL2202183 0.96 F2 (0.51) F2LIMK2TGFBR1HTR6ADRB3
SCHEMBL2196090 0.80 F2 (0.53) F2TGFBR1HTR6
SCHEMBL15946028 0.79 HTR6 (0.50) LIMK2HTR6ADRB3PTGESADRB2
SCHEMBL3132483 0.77 HTR6 (0.58) HTR6ADRB3ALDH1A1GAAHPGD
SCHEMBL3134261 0.76 ADRB3 (0.47) LIMK2HTR6ADRB3PTGESADRB2
SCHEMBL14020393 0.74 HTR6 (0.52) HTR6ADRB3ADRB2ADRB1ALDH1A1
SCHEMBL4605486 0.74 HTR6 (0.52) HTR6ADRB3ADRB2ADRB1ALDH1A1
SCHEMBL27840648 0.74 HTR6 (0.52) HTR6ADRB3PTGESADRB2ADRB1
SCHEMBL4605482 0.74 HTR6 (0.52) HTR6ADRB3ADRB2ADRB1ALDH1A1
SCHEMBL4793028 0.74 HTR6 (0.52) HTR6ADRB3ADRB2ADRB1ALDH1A1

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
EP-2340242-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-06 EP disclosed
WO-2010048332-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-04-29 WO 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 (2 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-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 F2 4045/4885LIMK2 1881/4885TGFBR1 4218/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 F2 4045/4885LIMK2 1881/4885TGFBR1 4218/4885

“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.