SCHEMBL3134433

SCHEMBL3134433

CCC(O)(CC)CNc1cccc(C(=O)CCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
BCHE P06276 1/20 0.38
NQO2 P16083 1/20 0.38
MALT1 Q9UDY8 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
SIGMAR1 Q99720 2/20 0.37
KDM4E B2RXH2 4/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
HIF1A Q16665 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36

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
SCHEMBL2150830 0.94 CA1 (0.40) CA1CA2BCHENQO2MALT1
SCHEMBL2151076 0.85 MAPT (0.43) CA1CA2ALDH1A1MAPTHDAC3
SCHEMBL27840622 0.84 HPGD (0.50) ALDH1A1MAPTGAAHPGD
SCHEMBL2167461 0.83 CA1 (0.44) CA1CA2ALDH1A1MAPTHDAC8
SCHEMBL3134357 0.83 CA1 (0.41) CA1CA2BCHENQO2MALT1
SCHEMBL15946024 0.81 HTR2B (0.44) CA1CA2ALDH1A1MAPTHDAC3
SCHEMBL2151276 0.80 TDP1 (0.53) CA1CA2BCHENQO2ALDH1A1
SCHEMBL27840620 0.80 HPGD (0.45) GAAHPGD
SCHEMBL2151196 0.80 AKR1C3 (0.40) CA1CA2ALDH1A1MAPTHDAC3
SCHEMBL13323959 0.79 L3MBTL1 (0.49) CA1CA2BCHENQO2ALDH1A1

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 1745/4885BCHE 1449/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CA1 4789/4885CA2 1745/4885BCHE 1449/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 CA1 4789/4885CA2 1745/4885BCHE 1449/4885

“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.