SCHEMBL10168522

SCHEMBL10168522

CCC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.47
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KLK5 Q9Y337 1/20 0.44
CACNA1B Q00975 2/20 0.42
YAP1 P46937 2/20 0.42
REN P00797 2/20 0.42
MMP1 P03956 1/20 0.42
MMP3 P08254 1/20 0.42
MMP9 P14780 1/20 0.42
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GPR55 Q9Y2T6 1/20 0.41
CMA1 P23946 1/20 0.41
SSTR2 P30874 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
SCHEMBL2755700 0.92 ACE (0.47) ACEATML3MBTL1KLK5CACNA1B
SCHEMBL10173423 0.92 ATM (0.54) ACEATML3MBTL1YAP1GAA
SCHEMBL9891717 0.91 L3MBTL1 (0.48) ACEATML3MBTL1GAAPOLB
SCHEMBL2754844 0.89 ACE (0.49) ACEATML3MBTL1POLB
SCHEMBL10208129 0.89 ACE (0.44) ACEATML3MBTL1KLK5CACNA1B
SCHEMBL13828054 0.88 ACE (0.44) ACEATML3MBTL1KLK5CACNA1B
SCHEMBL20530136 0.88 YAP1 (0.51) ACEATML3MBTL1KLK5YAP1
SCHEMBL20530134 0.88 YAP1 (0.51) ACEATML3MBTL1KLK5YAP1
SCHEMBL20530135 0.88 YAP1 (0.51) ACEATML3MBTL1KLK5YAP1
SCHEMBL18811643 0.88 YAP1 (0.51) ACEATML3MBTL1KLK5YAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120034247-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-02-09 US disclosed
US-20120034247-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-02-09 US disclosed
US-20120027784-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-02-02 US disclosed
US-20120027784-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-02-02 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-20120027784-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM ACE 3491/4885ATM 3298/4885L3MBTL1 824/4885
US-20120034247-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM ACE 3491/4885ATM 3298/4885L3MBTL1 824/4885

“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.