SCHEMBL8430592

SCHEMBL8430592

CC(C)C[C@@H](C=O)N[C@@H](Cc1csc(CCC2CCCCC2)n1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 10/20 0.34
NMT2 O60551 1/20 0.33
NMT1 P30419 1/20 0.33
ADRB3 P13945 1/20 0.33
PSMB10 P40306 2/20 0.32
PSMB2 P49721 2/20 0.32
ADAM17 P78536 1/20 0.31
ACE P12821 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA2B P08514 1/20 0.31
ITGB6 P18564 1/20 0.31
BCHE P06276 1/20 0.31
DGAT1 O75907 1/20 0.31

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
SCHEMBL8430006 0.93 ADRB3 (0.36) RENNMT2NMT1ADRB3PSMB10
SCHEMBL8248393 0.89 REN (0.36) RENNMT2NMT1ADRB3ADAM17
SCHEMBL5869650 0.89 REN (0.36) RENNMT2NMT1ADRB3ADAM17
SCHEMBL5870069 0.82 ADRB3 (0.37) RENNMT2NMT1ADRB3PSMB10
SCHEMBL8255438 0.82 ADRB3 (0.37) RENNMT2NMT1ADRB3PSMB10
SCHEMBL8430320 0.81 NPPA (0.38) RENPSMB10PSMB2ADAM17ACE
SCHEMBL8430337 0.80 NPPA (0.40) RENPSMB10PSMB2ACEBCHE
SCHEMBL8430329 0.78 HDAC1 (0.46) ACESMN1; SMN2
SCHEMBL8430327 0.76 MEN1 (0.34) ACE
SCHEMBL8430334 0.76 ACE2 (0.41) ACESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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 (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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 REN 7/4885NMT2 441/4885NMT1 1438/4885

“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.