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Sugi Predict / Compounds / SCHEMBL5869775

SCHEMBL5869775

SCHEMBL5869775

CC(C)CC(NC(Cn1ccn(Cc2ccccc2)c1=O)C(=O)O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.47
▸ ACE2 Q9BYF1 4/20 0.44
▸ MME P08473 2/20 0.43
▸ NTSR1 P30989 1/20 0.42
▸ LTA4H P09960 1/20 0.42
▸ MMP1 P03956 4/20 0.41
▸ MMP9 P14780 4/20 0.41
▸ MMP3 P08254 2/20 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
SCHEMBL5869807 1.00 ACE (0.47) ACEACE2MMENTSR1LTA4H
SCHEMBL5869803 1.00 ACE (0.47) ACEACE2MMENTSR1LTA4H
SCHEMBL5869636 0.90 ACE2 (0.48) ACEACE2NTSR1
SCHEMBL5869646 0.90 ACE2 (0.48) ACEACE2NTSR1
SCHEMBL5869641 0.90 ACE2 (0.48) ACEACE2NTSR1
SCHEMBL5869974 0.90 ACE2 (0.42) ACEACE2
SCHEMBL5869972 0.90 ACE2 (0.42) ACEACE2
SCHEMBL5869981 0.90 ACE2 (0.42) ACEACE2
SCHEMBL7426808 0.88 MMP1 (0.46) ACEMMENTSR1LTA4HMMP1
SCHEMBL5869761 0.88 MMP1 (0.47) ACEACE2NTSR1MMP1MMP9

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 8 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 claimed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 — — US claimed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 — — WO claimed
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2022-05-24 — — US disclosed
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION MAX-DELBRÜCK-CENTRUM FÜR MOLEKULARE MEDIZIN IN DER HELMHOLTZ-GEMEINSCHAFT (DE) 2020-11-19 — — US disclosed
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
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 — — 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 (3 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 ACE 1/4885ACE2 2/4885MME 11/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR ACE 1/4885ACE2 2/4885MME 44/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR ACE 1/4885ACE2 2/4885MME 44/4885

“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.