SCHEMBL19480554

SCHEMBL19480554

CC(C)(C)OC(=O)NNC(=O)c1ccc(N2C(=O)CCC2=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA9 Q16790 1/20 0.49
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ GLA P06280 1/20 0.44
▸ POLB P06746 4/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPT P10636 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ GFER P55789 1/20 0.41

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
SCHEMBL19480556 0.85 DDAH1 (0.47) ALDH1A1KMT2APOLBHPGDNPSR1
SCHEMBL25320235 0.80 HDAC6 (0.55) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL1477613 0.78 MIF (0.50) CA12CA1CA9ALDH1A1KMT2A
SCHEMBL17680509 0.76 POLB (0.53) NPC1RAB9AALDH1A1KMT2AMEN1
SCHEMBL13605085 0.76 MAPT (0.63) RAB9AALDH1A1KMT2AMEN1POLB
SCHEMBL17172491 0.76 ALDH1A1 (0.66) NPC1RAB9AALDH1A1KMT2AKDM4E
SCHEMBL19480509 0.76 ALDH1A1 (0.54) NPC1RAB9AALDH1A1KMT2APOLB
SCHEMBL2505911 0.75 ALDH1A1 (0.53) CA12CA1CA9NPC1RAB9A
SCHEMBL2835719 0.75 ALDH1A1 (0.45) RAB9AALDH1A1KMT2AMEN1POLB
SCHEMBL2107820 0.75 GAA (0.51) RAB9AALDH1A1KMT2AMEN1POLB

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-20210002222-A1 AMINOBENZOIC ACID DERIVATIVES FOR USE AS ANTI-INFLAMMATORY AGENTS, ANTI-METASTATIC AGENTS AND/OR ANTICANCER AGENTS 3R VALO, S.E.C. (CA) 2021-01-07 — — US disclosed
EP-3442943-B1 AMINOBENZOIC ACID DERIVATIVES FOR USE AS ANTI-INFLAMMATORY AGENTS, ANTI-METASTATIC AGENTS AND/OR ANTICANCER AGENTS 3R VALO S E C (CA) 2020-10-07 — — EP disclosed
US-10759754-B2 Aminobenzoic acid derivatives for use as anti-inflammatory agents, anti-metastatic agents and/or anticancer agents 3R VALO, S.E.C. (CA) 2020-09-01 — — US disclosed
US-20190127325-A1 AMINOBENZOIC ACID DERIVATIVES FOR USE AS ANTI-INFLAMMATORY AGENTS, ANTI-METASTATIC AGENTS AND/OR ANTICANCER AGENTS UNIVERSITÉ DU QUÉBEC À TROIS-RIVIÈRES (CA) 2019-05-02 — — US disclosed
WO-2017177316-A1 AMINOBENZOIC ACID DERIVATIVES FOR USE AS ANTI-INFLAMMATORY AGENTS, ANTI-METASTATIC AGENTS AND/OR ANTICANCER AGENTS 3R VALO, S.E.C. (CA) 2017-10-19 — — 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-20210002222-A1 AMINOBENZOIC ACID DERIVATIVES FOR USE AS ANTI-INFLAMMATORY AGENTS, ANTI-METASTATIC AGENTS AND/OR ANTICANCER AGENTS NFKBIA, NFKB1, NFRKB CA12 2112/4885CA1 2064/4885CA9 354/4885
US-20190127325-A1 AMINOBENZOIC ACID DERIVATIVES FOR USE AS ANTI-INFLAMMATORY AGENTS, ANTI-METASTATIC AGENTS AND/OR ANTICANCER AGENTS NFKBIA, NFKB1, NFRKB CA12 2112/4885CA1 2064/4885CA9 354/4885
US-10759754-B2 Aminobenzoic acid derivatives for use as anti-inflammatory agents, anti-metastatic agents and/or anticancer agents NFKBIA, NFKB1, NFRKB CA12 2112/4885CA1 2064/4885CA9 354/4885

“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.

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