SCHEMBL5869737

SCHEMBL5869737

CC(C)C[C@H](N[C@@H](Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
HPGD P15428 2/20 0.49
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
GFER P55789 1/20 0.49
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GRN P28799 3/20 0.43
SORT1 Q99523 3/20 0.43
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
ACE2 Q9BYF1 4/20 0.41
ACE P12821 3/20 0.41
HRH1 P35367 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP2 O75604 1/20 0.38

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
SCHEMBL6932573 1.00 ALDH1A1 (0.49) ALDH1A1HPGDHTTKDM4EMAPT
SCHEMBL5869333 1.00 ALDH1A1 (0.49) ALDH1A1HPGDHTTKDM4EMAPT
SCHEMBL5869729 1.00 ALDH1A1 (0.49) ALDH1A1HPGDHTTKDM4EMAPT
SCHEMBL5869822 0.90 HRH1 (0.49) ALDH1A1HTTMAPTPKMACE2
SCHEMBL5869827 0.90 HRH1 (0.49) ALDH1A1HTTMAPTPKMACE2
SCHEMBL6924748 0.90 HRH1 (0.49) ALDH1A1HTTMAPTPKMACE2
SCHEMBL5869815 0.90 HRH1 (0.49) ALDH1A1HTTMAPTPKMACE2
SCHEMBL5870482 0.89 GRN (0.49) ALDH1A1HPGDHTTKDM4EMAPT
SCHEMBL6933860 0.89 GRN (0.49) ALDH1A1HPGDHTTKDM4EMAPT
SCHEMBL5870491 0.89 GRN (0.49) ALDH1A1HPGDHTTKDM4EMAPT

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 3 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

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 ALDH1A1 1305/4885HPGD 156/4885HTT 2775/4885

“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.