SCHEMBL17097364

SCHEMBL17097364

N[C@@H](Cc1ccccc1)C(=O)C(=O)NCc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.67
RNPEP Q9H4A4 1/20 0.67
DNPEP Q9ULA0 1/20 0.67
ALPI P09923 1/20 0.58
PKM P14618 1/20 0.58
PTGS1 P23219 1/20 0.58
XIAP P98170 1/20 0.58
SLC7A5 Q01650 1/20 0.58
LTA4H P09960 2/20 0.56
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.53
MAPT P10636 1/20 0.53
KMT2A Q03164 1/20 0.53
SLC15A1 P46059 1/20 0.50
MMP8 P22894 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49

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
SCHEMBL8494890 0.85 ANPEP (0.69) ANPEPRNPEPDNPEPALPIPKM
SCHEMBL7347389 0.85 ANPEP (0.69) ANPEPRNPEPDNPEPALPIPKM
SCHEMBL3114367 0.83 ALPI (0.61) ANPEPALPIPKMPTGS1XIAP
SCHEMBL7413310 0.83 ALPI (0.61) ANPEPALPIPKMPTGS1XIAP
SCHEMBL14973968 0.83 ANPEP (0.55) ANPEPRNPEPDNPEPALDH1A1MEN1
SCHEMBL12330216 0.83 ANPEP (0.55) ANPEPRNPEPDNPEPALDH1A1MEN1
SCHEMBL660504 0.82 SLC7A5 (0.76) ANPEPRNPEPDNPEPALPIPKM
SCHEMBL660503 0.82 SLC7A5 (0.76) ANPEPRNPEPDNPEPALPIPKM
SCHEMBL23015853 0.81 ALDH1A1 (0.63) ANPEPRNPEPDNPEPALDH1A1MEN1
Hydrochloric Acid SCHEMBL3385081 0.81 MMP8 (0.59) ANPEPALPIPKMPTGS1XIAP

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-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-22 US claimed
US-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2015-10-22 US disclosed
US-20150266920-A1 MACROCYCLIC KETOAMIDE IMMUNOPROTEASOME INHIBITORS HOFFMANN-LA ROCHE INC. 2015-09-24 US 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 (2 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-20150299143-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS HDAC7, PSMB7, IKZF3 ANPEP 3315/4885RNPEP 3218/4885DNPEP 1093/4885
US-20150266920-A1 MACROCYCLIC KETOAMIDE IMMUNOPROTEASOME INHIBITORS PSMB7, PSMC2, PSMB8 ANPEP 1090/4885RNPEP 477/4885DNPEP 423/4885

“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.