SCHEMBL2755697

SCHEMBL2755697

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)[C@@H](OC)[C@@H]1CCCN1C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
CYP2C9 P11712 2/20 0.51
CYP2C19 P33261 2/20 0.51
ALDH1A1 P00352 1/20 0.51
THRB P10828 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GAA P10253 1/20 0.51
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
POLB P06746 1/20 0.46
GFER P55789 1/20 0.46
ACE P12821 2/20 0.45
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44

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
SCHEMBL23209734 0.94 ATM (0.54) ATML3MBTL1CYP2C9CYP2C19ALDH1A1
SCHEMBL17555774 0.94 ATM (0.54) ATML3MBTL1CYP2C9CYP2C19ALDH1A1
SCHEMBL17555775 0.94 ATM (0.54) ATML3MBTL1CYP2C9CYP2C19ALDH1A1
SCHEMBL23209735 0.94 ATM (0.54) ATML3MBTL1CYP2C9CYP2C19ALDH1A1
SCHEMBL2755704 0.93 ALDH1A1 (0.52) ATML3MBTL1ALDH1A1HSD17B10POLB
SCHEMBL2755700 0.92 ACE (0.47) ATML3MBTL1CYP2C9CYP2C19ALDH1A1
SCHEMBL10173423 0.92 ATM (0.54) ATML3MBTL1CYP2C9CYP2C19ALDH1A1
SCHEMBL2755699 0.89 CAPN1 (0.47) ATML3MBTL1CYP2C9CYP2C19ALDH1A1
SCHEMBL18912329 0.89 GAA (0.54) ATML3MBTL1CYP2C9CYP2C19ALDH1A1
SCHEMBL19647312 0.89 GAA (0.54) ATML3MBTL1CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703714-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS, INC. (US) 2014-04-22 US disclosed
US-8703714-B2 Monomethylvaline compounds capable of conjugation to ligands SEATTLE GENETICS, INC. (US) 2014-04-22 US disclosed
US-20120003247-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-01-05 US disclosed
US-20120003247-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS SEATTLE GENETICS, INC. (US) 2012-01-05 US disclosed
US-20080226657-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases SEATTLE GENETICS, INC. (US) 2008-09-18 US disclosed
US-20080226657-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases SEATTLE GENETICS, INC. (US) 2008-09-18 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-20120003247-A1 MONOMETHYLVALINE COMPOUNDS CAPABLE OF CONJUGATION TO LIGANDS MMAB, CAD, VIM ATM 3298/4885L3MBTL1 824/4885CYP2C9 1211/4885
US-20080226657-A1 Antibody-drug conjugates; Auristatin peptides, including MeVal-Val-Dil-Dap-Norephedrine (MMAE) and MeVal-Val-Dil-Dap-Phe (MMAF); cancer; autoimmune diseases MMAB, CAD, VIM ATM 3168/4885L3MBTL1 470/4885CYP2C9 2219/4885

“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.