SCHEMBL5869434

SCHEMBL5869434

CC(C)C[C@H](N[C@@H](Cc1cn(Cc2cc(Cl)cc(Cl)c2)c2ccccc12)C(=O)O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.58
ACE P12821 3/20 0.58
LMNA P02545 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KMT2A Q03164 2/20 0.48
ADAM17 P78536 7/20 0.47
BCL2 P10415 1/20 0.44
BCL2L1 Q07817 1/20 0.44
MCL1 Q07820 1/20 0.44
MMP2 P08253 1/20 0.44
MMP13 P45452 1/20 0.44
MMP14 P50281 1/20 0.44
GRN P28799 2/20 0.43
SORT1 Q99523 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL5869426 1.00 ACE2 (0.58) ACE2ACELMNAALDH1A1KMT2A
SCHEMBL5869442 1.00 ACE2 (0.58) ACE2ACELMNAALDH1A1KMT2A
SCHEMBL5869325 0.92 KMT2A (0.57) ACE2LMNAALDH1A1KMT2AADAM17
SCHEMBL5869321 0.92 KMT2A (0.57) ACE2LMNAALDH1A1KMT2AADAM17
SCHEMBL5869335 0.92 KMT2A (0.57) ACE2LMNAALDH1A1KMT2AADAM17
SCHEMBL5869329 0.92 KMT2A (0.57) ACE2LMNAALDH1A1KMT2AADAM17
SCHEMBL5870548 0.92 KMT2A (0.57) ACE2LMNAALDH1A1KMT2AADAM17
SCHEMBL5870366 0.89 LMNA (0.45) ACE2ACELMNAALDH1A1KMT2A
SCHEMBL5870367 0.89 LMNA (0.45) ACE2ACELMNAALDH1A1KMT2A
SCHEMBL5870369 0.89 LMNA (0.45) ACE2ACELMNAALDH1A1KMT2A

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-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
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 ACE2 2/4885ACE 1/4885LMNA 3320/4885

“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.