SCHEMBL17468460

SCHEMBL17468460

CC(C)(C)C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.69
ACE P12821 9/20 0.67
MME P08473 7/20 0.67
ACE2 Q9BYF1 6/20 0.67
L3MBTL1 Q9Y468 1/20 0.57
NAALAD2 Q9Y3Q0 1/20 0.55
CPA1 P15085 5/20 0.54
KMT2A Q03164 1/20 0.53
MMP1 P03956 1/20 0.53
MMP3 P08254 1/20 0.53
FPR2 P25090 1/20 0.51

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
SCHEMBL12863002 1.00 NPSR1 (0.69) NPSR1ACEMMEACE2L3MBTL1
SCHEMBL244885 1.00 NPSR1 (0.69) NPSR1ACEMMEACE2L3MBTL1
SCHEMBL683352 0.89 NPSR1 (0.55) NPSR1ACEMMEACE2L3MBTL1
SCHEMBL684246 0.89 NPSR1 (0.55) NPSR1ACEMMEACE2L3MBTL1
SCHEMBL30587429 0.87 ACE (0.59) NPSR1ACEMMEACE2L3MBTL1
SCHEMBL2550703 0.87 FOLH1 (0.61) NPSR1ACEMMEACE2NAALAD2
SCHEMBL2550705 0.87 FOLH1 (0.61) NPSR1ACEMMEACE2NAALAD2
SCHEMBL10408617 0.87 ACE (0.68) NPSR1ACEMMEACE2L3MBTL1
SCHEMBL12862963 0.87 NPSR1 (0.54) NPSR1ACEMMEACE2MMP1
SCHEMBL13886186 0.86 NPSR1 (0.54) NPSR1ACEMMEACE2L3MBTL1

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116854772-A Analogue of endomorphin and adenine conjugated peptide with analgesic activity and synthesis method thereof 中国人民解放军空军军医大学 2023-10-10 CN claimed
CN-116854772-A Analogue of endomorphin and adenine conjugated peptide with analgesic activity and synthesis method thereof 中国人民解放军空军军医大学 2023-10-10 CN disclosed
US-20200181099-A1 Heterocyclic Compounds Useful In The Treatment Of Disease EPIGEN BIOSCIENCES, INC. (US) 2020-06-11 US disclosed
US-10570103-B2 Heterocyclic compounds useful in the treatment of disease EPIGEN BIOSCIENCES, INC. (US) 2020-02-25 US disclosed
US-20190135767-A1 Heterocyclic Compounds Useful In The Treatment Of Disease EPIGEN BIOSCIENCES, INC. (US) 2019-05-09 US disclosed
CN-106220635-B The dihydro diaza * and carbazole ketone at the condensed Fourth Ring or five rings as PARP inhibitor 百济神州有限公司 2019-03-08 CN disclosed
US-10000459-B2 Heterocyclic compounds useful in the treatment of disease EPIGEN BIOSCIENCES, INC. (US) 2018-06-19 US disclosed
US-9988492-B2 Methods for post-fabrication functionalization of poly(ester ureas) THE UNIVERSITY OF AKRON (US) 2018-06-05 US disclosed
CN-106220635-A As the Fourth Ring condensed of PARP inhibitor or the dihydro diaza * at five rings carbazole ketone 百济神州有限公司 2016-12-14 CN disclosed
CN-103703004-B Fused tetracyclic or pentacyclic dihydrodiaza-carbazolones as PARP inhibitors 百济神州有限公司 2016-06-29 CN disclosed
US-20160024031-A1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE EPIGEN BIOSCIENCES, INC. (US) 2016-01-28 US disclosed
CN-103703004-A Fused tetracyclic or pentacyclic dihydrodiaza-carbazolones as PARP inhibitors BEIGENE LTD 2014-04-02 CN 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 (5 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-20190135767-A1 Heterocyclic Compounds Useful In The Treatment Of Disease LPAR1, LPAR2, LPAR4 NPSR1 293/4885ACE 3633/4885MME 1808/4885
US-10000459-B2 Heterocyclic compounds useful in the treatment of disease LPAR1, LPAR4, LPAR3 NPSR1 171/4885ACE 4412/4885MME 2668/4885
US-20160024031-A1 HETEROCYCLIC COMPOUNDS USEFUL IN THE TREATMENT OF DISEASE LPAR1, LPAR4, LPAR3 NPSR1 182/4885ACE 4373/4885MME 2653/4885
US-20200181099-A1 Heterocyclic Compounds Useful In The Treatment Of Disease LPAR1, LPAR4, LPAR3 NPSR1 171/4885ACE 4412/4885MME 2668/4885
US-10570103-B2 Heterocyclic compounds useful in the treatment of disease LPAR1, LPAR2, LPAR4 NPSR1 293/4885ACE 3633/4885MME 1808/4885

“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.