SCHEMBL17366111

SCHEMBL17366111

N#Cc1ccc(CNC(=O)[C@@H](N)CCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.51
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
CTSC P53634 2/20 0.48
SPHK1 Q9NYA1 1/20 0.48
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
MASP2 O00187 2/20 0.46
F2 P00734 1/20 0.46
MAOA P21397 1/20 0.44
PRSS1 P07477 1/20 0.44
CTSG P08311 1/20 0.44
CTRB1 P17538 1/20 0.44
CMA1 P23946 1/20 0.44
ALDH1A1 P00352 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ABCB1 P08183 1/20 0.44
HPGD P15428 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
MCL1 Q07820 1/20 0.43

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
SCHEMBL28084147 0.87 CTSC (0.56) MMP8SLC1A3SLC1A2CTSCMAOA
SCHEMBL28084151 0.87 CTSC (0.56) MMP8SLC1A3SLC1A2CTSCMAOA
Hydrochloric Acid SCHEMBL14486038 0.86 CTSC (0.54) MMP8SLC1A3SLC1A2CTSCMAOA
Hydrochloric Acid SCHEMBL14486037 0.86 CTSC (0.54) MMP8SLC1A3SLC1A2CTSCMAOA
SCHEMBL14628026 0.84 MMP8 (0.56) MMP8SPHK1MASP2F2MAOA
SCHEMBL13418073 0.83 MMP8 (0.55) MMP8SPHK1MASP2F2ALDH1A1
SCHEMBL5047802 0.80 SLC1A3 (0.53) SLC1A3SLC1A2MAOAABCB1MCL1
SCHEMBL5047798 0.80 SLC1A3 (0.53) SLC1A3SLC1A2MAOAABCB1MCL1
SCHEMBL21582601 0.80 ALDH1A1 (0.60) MMP8SPHK1ALDH1A1
SCHEMBL20117423 0.80 MMP8 (0.51) MMP8SPHK1MASP2F2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170145054-A1 PROCESS FOR THE PRODUCTION OF A DIPEPTIDE DERIVATIVE DSM IP ASSETS B.V. (NL) 2017-05-25 US disclosed
EP-2960232-A1 Process for the production of a dipeptide derivative DSM IP Assets B.V. (NL) 2015-12-30 EP disclosed
WO-2015197309-A1 PROCESS FOR THE PRODUCTION OF A DIPEPTIDE DERIVATIVE DSM IP ASSETS B.V. (NL) 2015-12-30 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 (1 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-20170145054-A1 PROCESS FOR THE PRODUCTION OF A DIPEPTIDE DERIVATIVE VIP, PEPD, DNPEP MMP8 3300/4885SLC1A3 673/4885SLC1A2 1609/4885

“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.