SCHEMBL13957286

SCHEMBL13957286

CC(C)NC(Cc1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MME P08473 7/20 0.62
▸ ACE P12821 5/20 0.62
▸ CPA1 P15085 2/20 0.62
▸ ACE2 Q9BYF1 2/20 0.62
▸ MMP9 P14780 2/20 0.53
▸ MMP8 P22894 2/20 0.53
▸ CA2 P00918 1/20 0.53
▸ PIN1 Q13526 3/20 0.53
▸ HTR2A P28223 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ ALB P02768 1/20 0.48
▸ IL2 P60568 1/20 0.48
▸ CTSL P07711 1/20 0.48
▸ CTSB P07858 1/20 0.48
▸ CTSS P25774 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ TACR1 P25103 1/20 0.48

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
SCHEMBL16252292 1.00 MME (0.62) MMEACECPA1ACE2MMP9
SCHEMBL28066552 0.90 MME (0.53) MMEACECPA1ACE2CA2
SCHEMBL16252303 0.88 MME (0.52) MMEACECPA1ACE2MMP9
SCHEMBL14537029 0.88 MME (0.52) MMEACECPA1ACE2MMP9
SCHEMBL14640236 0.87 MME (0.65) MMEACECPA1ACE2MMP9
SCHEMBL8254158 0.87 MME (0.58) MMEACECPA1ACE2MMP9
SCHEMBL24766201 0.87 MME (0.65) MMEACECPA1ACE2MMP9
SCHEMBL16171805 0.87 MME (0.51) MMEACECPA1ACE2MMP9
SCHEMBL21690504 0.87 MME (0.51) MMEACECPA1ACE2MMP9
SCHEMBL14511422 0.87 MME (0.51) MMEACECPA1ACE2MMP9

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
EP-2861581-B9 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. BRISTOL MYERS SQUIBB CO (US) 2017-08-30 — — EP disclosed
EP-2861581-B1 1,2,3,4-Tetrahydroisoquinoline-pyrrolidine derivatives as antagonists of apoptosis (IAPs) for the treatment of cancer. BRISTOL MYERS SQUIBB CO (US) 2017-02-01 — — EP disclosed
EP-1917020-B1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS INC (US) 2016-05-25 — — EP disclosed
US-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2013-05-16 — — US disclosed
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 — — US disclosed
US-8343928-B2 Monomethylvaline compounds having phenylalanine side-chain replacements at the C-terminus SEATTLE GENETICS, INC. (US) 2013-01-01 — — US disclosed
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 — — US disclosed
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus SEATTLE GENETICS, INC. (US) 2009-01-15 — — 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-20130123465-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS MMAB, PTMS, DNPEP MME 463/4885ACE 2987/4885CPA1 1805/4885
US-20090018086-A1 Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus MMAB, DNPEP, MARCKS MME 424/4885ACE 3080/4885CPA1 1671/4885

“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.

Send feedback