Sugi Predict

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SCHEMBL2201659

SCHEMBL2201659

COCCCCCS(=O)(=O)Nc1cccc(C(O)CCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 8/20 0.40
▸ CA2 P00918 8/20 0.40
▸ CA12 O43570 5/20 0.39
▸ CA9 Q16790 5/20 0.39
▸ ADRB3 P13945 2/20 0.38
▸ IDO1 P14902 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ NQO2 P16083 1/20 0.35
▸ MALT1 Q9UDY8 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ RORC P51449 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2150835 0.89 CA1 (0.43) CA1CA2ADRB3IDO1ADRA1A
SCHEMBL2151160 0.88 ADRB3 (0.40) ADRB3ADRA1AKDM4EALDH1A1HPGD
SCHEMBL3125091 0.83 ADRB3 (0.39) ADRB3ADRA1A
SCHEMBL13323561 0.82 ADRB3 (0.43) ADRB3ADRA1AKDM4E
SCHEMBL2195348 0.81 CA1 (0.43) CA1CA2CA12CA9NQO2
SCHEMBL2151213 0.81 CA1 (0.38) CA1CA2IDO1NQO2MAPT
SCHEMBL613231 0.81 MAPT (0.41) CA1CA2CA12CA9ADRB3
SCHEMBL2150529 0.78 CA1 (0.41) CA1CA2CA12CA9ADRB3
SCHEMBL612935 0.77 ADORA3 (0.41) CA1CA2CA12CA9NQO2
SCHEMBL3125471 0.77 ADRB3 (0.46) CA1CA2ADRB3IDO1ADRA1A

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
EP-2340242-A2 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2011-07-06 — — EP disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 — — US 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 (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.