SCHEMBL5869822

SCHEMBL5869822

CC(C)C[C@H](N[C@@H](Cc1ccc(-c2ccccc2)o1)C(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.49
ALDH1A1 P00352 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MME P08473 3/20 0.43
ALOX5 P09917 1/20 0.43
CYP2E1 P05181 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2A6 P11509 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
LTA4H P09960 1/20 0.41
ACE P12821 1/20 0.41
CPA1 P15085 1/20 0.41

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
SCHEMBL5869815 1.00 HRH1 (0.49) HRH1ALDH1A1POLBMAPTPKM
SCHEMBL6924748 1.00 HRH1 (0.49) HRH1ALDH1A1POLBMAPTPKM
SCHEMBL5869827 1.00 HRH1 (0.49) HRH1ALDH1A1POLBMAPTPKM
SCHEMBL5869518 0.91 ALDH1A1 (0.50) HRH1ALDH1A1POLBMAPTPKM
SCHEMBL5869879 0.91 ALDH1A1 (0.50) HRH1ALDH1A1POLBMAPTPKM
SCHEMBL5869874 0.91 ALDH1A1 (0.50) HRH1ALDH1A1POLBMAPTPKM
SCHEMBL5869737 0.90 ALDH1A1 (0.49) HRH1ALDH1A1MAPTPKMHTT
SCHEMBL5869333 0.90 ALDH1A1 (0.49) HRH1ALDH1A1MAPTPKMHTT
SCHEMBL5869729 0.90 ALDH1A1 (0.49) HRH1ALDH1A1MAPTPKMHTT
SCHEMBL6932573 0.90 ALDH1A1 (0.49) HRH1ALDH1A1MAPTPKMHTT

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 HRH1 1334/4885ALDH1A1 1305/4885POLB 3205/4885

“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.