SCHEMBL4289468

SCHEMBL4289468

CCC(CCC(=O)OC(C)(C)C)C(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACE P12821 5/20 0.54
MME P08473 4/20 0.51
CPA1 P15085 2/20 0.51
ACE2 Q9BYF1 2/20 0.51
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
CTSS P25774 2/20 0.47
MMP2 P08253 1/20 0.47
MMP7 P09237 1/20 0.47
MMP9 P14780 1/20 0.47
MMP12 P39900 1/20 0.47
MMP13 P45452 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CTSK P43235 1/20 0.47

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
SCHEMBL4289464 1.00 ACE (0.54) ACEMMECPA1ACE2HDAC3
SCHEMBL29755521 0.85 ACE (0.55) ACEMMECPA1ACE2HDAC3
SCHEMBL12344144 0.84 ACE (0.54) ACEMMECPA1ACE2HDAC3
SCHEMBL6294116 0.82 MMP2 (0.62) ACEMMECPA1ACE2MMP2
SCHEMBL4242808 0.82 MME (0.64) ACEMMECPA1ACE2HDAC3
SCHEMBL5966735 0.82 MME (0.64) ACEMMECPA1ACE2HDAC3
SCHEMBL13609083 0.81 MME (0.68) ACEMMECPA1ACE2HDAC3
SCHEMBL31214776 0.81 GNPAT (0.60) ACECTSSMMP9CTSLCTSB
SCHEMBL31255864 0.81 ACE (0.53) ACEMMECPA1ACE2HDAC3
SCHEMBL29269401 0.81 ACE (0.74) ACECTSSCTSLCTSBCTSK

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-8637696-B2 Methods for preparing amides and amino acids WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-01-28 US disclosed
US-20130030210-A1 METHODS FOR PREPARING AMIDES AND AMINO ACIDS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-01-31 US disclosed
US-8269039-B2 Amino acids and catalytic preparatory methods WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-09-18 US disclosed
US-20090264676-A1 Amino acids and catalytic preparatory methods WARF - WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-10-22 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-20130030210-A1 METHODS FOR PREPARING AMIDES AND AMINO ACIDS DNPEP, PTMS, QPCT ACE 313/4885MME 104/4885CPA1 1881/4885
US-20090264676-A1 Amino acids and catalytic preparatory methods DNPEP, PREP, ENPEP ACE 265/4885MME 129/4885CPA1 1428/4885

“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.