SCHEMBL12433264

SCHEMBL12433264

CCOC(=O)C(CCc1ccccc1)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.51
▸ CTSS P25774 1/20 0.49
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ PAX8 Q06710 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ MMP1 P03956 1/20 0.47
▸ MMP3 P08254 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC4 P56524 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC7 Q8WUI4 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC10 Q969S8 1/20 0.46
▸ HDAC11 Q96DB2 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL4426973 1.00 CTSK (0.51) CTSKCTSSMEN1KMT2AMAPT
SCHEMBL9738069 0.88 FOLH1 (0.60) MMP1MMP3MMP9FOLH1ACE
SCHEMBL9738061 0.88 FOLH1 (0.60) MMP1MMP3MMP9FOLH1ACE
SCHEMBL23008180 0.86 CTSK (0.52) CTSKCTSSMEN1KMT2AMAPT
SCHEMBL19068560 0.86 CTSK (0.52) CTSKCTSSMEN1KMT2AMAPT
SCHEMBL901542 0.84 MME (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15101628 0.84 MME (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL901541 0.84 MME (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12511241 0.84 CTSK (0.48) CTSKCTSSMEN1KMT2AMAPT
SCHEMBL15384071 0.84 CTSK (0.48) CTSKCTSSMEN1KMT2AMAPT

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-11129805-B2 Dual ACE C-domain/NEP inhibitors ANGIODESIGN (UK) LIMITED (GB) 2021-09-28 — — US disclosed
US-20190111014-A1 DUAL ACE C-DOMAIN/NEP INHIBITORS ANGIODESIGN (UK) LIMITED (GB) 2019-04-18 — — US disclosed
US-7981922-B2 Angiotensin I-converting enzyme (ACE) inhibitors UNIVERSITY OF CAPE TOWN (ZA) 2011-07-19 — — US disclosed
US-20090118351-A1 Angiotensin I-Converting Enzyme (ACE) Inhibitors ANGIODESIGN (UK) LIMITED (GB) 2009-05-07 — — 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 (3 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-20190111014-A1 DUAL ACE C-DOMAIN/NEP INHIBITORS ACE, ACE2, MME CTSK 86/4885CTSS 77/4885MEN1 4134/4885
US-20090118351-A1 Angiotensin I-Converting Enzyme (ACE) Inhibitors ACE, ACE2, DNPEP CTSK 474/4885CTSS 198/4885MEN1 1367/4885
US-11129805-B2 Dual ACE C-domain/NEP inhibitors ACE, ACE2, MME CTSK 86/4885CTSS 77/4885MEN1 4134/4885

“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.

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