SCHEMBL4540960

SCHEMBL4540960

CC(C)(C)OC(=O)NC(C(=O)O)C1CCNCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.41
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
MMP13 P45452 1/20 0.40
CTSS P25774 4/20 0.39
CTSK P43235 4/20 0.39
KMT2A Q03164 2/20 0.39
CPN1 P15169 1/20 0.38
CPB2 Q96IY4 1/20 0.38
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
BTK Q06187 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
CTSL P07711 1/20 0.35

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
SCHEMBL13266882 0.91 CTSS (0.38) AAK1MMP1MMP2MMP3MMP7
SCHEMBL16039839 0.89 AAK1 (0.42) AAK1CTSSCTSKKMT2ACA1
SCHEMBL1349093 0.89 AAK1 (0.48) AAK1CTSSCTSKKMT2ACA1
SCHEMBL1349095 0.89 AAK1 (0.48) AAK1CTSSCTSKKMT2ACA1
SCHEMBL1273387 0.89 AAK1 (0.48) AAK1CTSSCTSKKMT2ACA1
SCHEMBL1018696 0.87 AAK1 (0.40) AAK1MMP1MMP2MMP3MMP7
SCHEMBL8281707 0.86 BTK (0.49) AAK1CTSSCTSKKMT2ACA1
SCHEMBL464205 0.86 AAK1 (0.47) AAK1CTSSCTSKKMT2ACA1
SCHEMBL6820204 0.86 AAK1 (0.47) AAK1CTSSCTSKKMT2ACA1
SCHEMBL1294357 0.86 BTK (0.49) AAK1CTSSCTSKKMT2ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230295200-A1 STAT5 and STAT6 Inhibitors and Uses Thereof UNIV MICHIGAN (US) 2023-09-21 US disclosed
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WYETH (US) 2009-02-26 US disclosed
EP-1385508-B1 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-05-21 EP disclosed
US-7026316-B2 Dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2006-04-11 US disclosed
EP-1385508-A4 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2005-06-08 EP disclosed
US-20040106656-A1 Dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. 2004-06-03 US disclosed
EP-1385508-A1 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2004-02-04 EP disclosed
WO-2002076450-A1 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2002-10-03 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-20040106656-A1 Dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 AAK1 2122/4885MMP1 119/4885MMP2 24/4885
US-20230295200-A1 STAT5 and STAT6 Inhibitors and Uses Thereof STAT6, STAT5B, STAT5A AAK1 372/4885MMP1 3792/4885MMP2 3600/4885
US-20090054392-A1 NAPHTHYLPYRIMIDINE, NAPHTHYLPYRAZINE AND NAPHTHYLPYRIDAZINE ANALOGS AND THEIR USE AS AGONISTS OF THE WNT-BETA-CATENIN CELLULAR MESSAGING SYSTEM WNT1, CTNNB1, WNT3A AAK1 2999/4885MMP1 1659/4885MMP2 2777/4885

“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.