SCHEMBL2173930

SCHEMBL2173930

CN(c1cccc(C(O)CCNC(=O)OC(C)(C)C)c1)C1(O)CCCC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
DRD2 P14416 6/20 0.36
NQO2 P16083 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
PDK2 Q15119 1/20 0.34
KCNA5 P22460 1/20 0.33
UTS2R Q9UKP6 1/20 0.33
IDO1 P14902 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL3124904 0.99 CYP3A4 (0.38) MALT1CYP3A4CYP2C19DRD2NQO2
SCHEMBL3131903 0.85 KMT2A (0.39) KMT2A
SCHEMBL2178508 0.80 KDM4E (0.40) MALT1DRD2NQO2GAAPDK2
SCHEMBL2167622 0.79 USP30 (0.36) MALT1DRD2NQO2PDK2KCNA5
SCHEMBL3134382 0.79 KDM4E (0.41) MALT1CYP3A4CYP2C19DRD2NQO2
SCHEMBL2166671 0.79 EPHX1 (0.39) MALT1NQO2
SCHEMBL2173936 0.78 IDO1 (0.40) MALT1CYP3A4CYP2C19DRD2NQO2
SCHEMBL3124912 0.78 IDO1 (0.39) MALT1CYP3A4CYP2C19DRD2NQO2
SCHEMBL1725320 0.78 MALT1 (0.36) MALT1CYP3A4CYP2C19DRD2NQO2
SCHEMBL2209184 0.78 PDK2 (0.39) CYP3A4CYP2C19DRD2NQO2PDK2

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 MALT1 2891/4885CYP3A4 4413/4885CYP2C19 4541/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 MALT1 2891/4885CYP3A4 4413/4885CYP2C19 4541/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 MALT1 2891/4885CYP3A4 4413/4885CYP2C19 4541/4885

“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.