SCHEMBL5569277

SCHEMBL5569277

CC(C)C(=O)N1CCC(S)[C@@]1(C(=O)O)C(=O)CNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GFER P55789 1/20 0.34
GAA P10253 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
EPHX1 P07099 1/20 0.32
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
NPFFR1 Q9GZQ6 1/20 0.32
NPFFR2 Q9Y5X5 1/20 0.32
CTSK P43235 2/20 0.31
CTSS P25774 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HCRTR2 O43614 1/20 0.31
CACNA1H O95180 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30

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
Hydrochloric Acid SCHEMBL5570672 0.69 DPP4 (0.33)
SCHEMBL5569273 0.67 ACE (0.35) KMT2AMEN1TSHRALDH1A1GAA
SCHEMBL8144726 0.64 MEN1 (0.40) KMT2AMEN1TSHRALDH1A1GFER
SCHEMBL6818874 0.62 MEN1 (0.47) KMT2AMEN1TSHRALDH1A1GAA
SCHEMBL12125444 0.61 MEN1 (0.67) KMT2AMEN1TSHRALDH1A1GFER
SCHEMBL5900918 0.61 MEN1 (0.45) KMT2AMEN1TSHRALDH1A1GFER
SCHEMBL25410428 0.61 KMT2A (0.47) KMT2AMEN1TSHRALDH1A1GFER
SCHEMBL25409207 0.61 KMT2A (0.47) KMT2AMEN1TSHRALDH1A1GFER
SCHEMBL1000948 0.61 ACE (0.53) KMT2AMEN1TSHRALDH1A1
SCHEMBL1925210 0.61 ACE (0.53) KMT2AMEN1TSHRALDH1A1

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-7169805-B2 Captopril derivatives NICOX S.A. (FR) 2007-01-30 US disclosed
EP-1626955-A1 CAPTOPRIL DERIVATIVES Nicox S.A. (FR) 2006-02-22 EP disclosed
US-20040259808-A1 Captopril derivatives NICOX S.A. (FR) 2004-12-23 US disclosed
WO-2004106300-A1 CAPTOPRIL DERIVATIVES NICOX S.A. (FR) 2004-12-09 WO 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 (1 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-20040259808-A1 Captopril derivatives REN, ACE, NPPA KMT2A 3993/4885MEN1 3523/4885TSHR 3962/4885

“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.