Sugi Predict

Sugi Predict / Compounds / SCHEMBL3133160

SCHEMBL3133160

SCHEMBL3133160

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 6/20 0.46
▸ CA2 P00918 6/20 0.46
▸ MAP1LC3B Q9GZQ8 1/20 0.42
▸ MAP1LC3A Q9H492 1/20 0.42
▸ THRA P10827 1/20 0.42
▸ AURKA O14965 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ NQO2 P16083 1/20 0.39
▸ BRD4 O60885 2/20 0.38
▸ NPR3 P17342 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA9 Q16790 2/20 0.38
▸ WDR5 P61964 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL2195348 0.88 CA1 (0.43) CA1CA2MAP1LC3BMAP1LC3ATHRA
SCHEMBL2151211 0.85 THRA (0.46) CA1CA2MAP1LC3BMAP1LC3ATHRA
SCHEMBL2151154 0.84 ALDH1A1 (0.42) CA1CA2NQO2SMN1; SMN2
SCHEMBL1710609 0.83 CA2 (0.48) CA1CA2THRANQO2CA12
SCHEMBL2167461 0.83 CA1 (0.44) CA1CA2HPGDLMNARAB9A
SCHEMBL3125672 0.83 CA1 (0.43) CA1CA2NQO2CA12CA9
SCHEMBL15945996 0.82 MAP1LC3B (0.53) MAP1LC3BMAP1LC3ATHRAAURKAKDR
SCHEMBL2197030 0.82 CA1 (0.59) CA1CA2HPGDLMNARAB9A
SCHEMBL3137263 0.81 HDAC3 (0.51) CA1CA2KDRCA12CA9
SCHEMBL2151217 0.80 THRA (0.50) CA1CA2MAP1LC3BMAP1LC3ATHRA

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 1745/4885MAP1LC3B 985/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CA1 4789/4885CA2 1745/4885MAP1LC3B 985/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CA1 4789/4885CA2 1745/4885MAP1LC3B 985/4885

“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.