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Sugi Predict / Compounds / SCHEMBL5869843

SCHEMBL5869843

SCHEMBL5869843

COC(=O)C(Cc1cncn1Cc1cc(Cl)cc(Cl)c1)NC(CC(C)C)C(=O)O

nearest known ligand 0.87

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE2 Q9BYF1 4/20 0.87
▸ ACE P12821 3/20 0.87
▸ CYP11B1 P15538 7/20 0.42
▸ CYP11B2 P19099 7/20 0.42
▸ GRN P28799 3/20 0.42
▸ SORT1 Q99523 3/20 0.42
▸ FNTA P49354 5/20 0.35
▸ FNTB P49356 5/20 0.35
▸ PGGT1B P53609 1/20 0.34

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
SCHEMBL5870265 1.00 ACE2 (0.87) ACE2ACECYP11B1CYP11B2GRN
SCHEMBL12040382 1.00 ACE2 (0.87) ACE2ACECYP11B1CYP11B2GRN
SCHEMBL8255539 1.00 ACE2 (0.87) ACE2ACECYP11B1CYP11B2GRN
SCHEMBL5870269 1.00 ACE2 (0.87) ACE2ACECYP11B1CYP11B2GRN
SCHEMBL5870455 0.95 ACE2 (0.78) ACE2ACECYP11B1CYP11B2GRN
SCHEMBL8258361 0.95 ACE2 (0.78) ACE2ACECYP11B1CYP11B2GRN
Ore-1001 SCHEMBL2223815 0.93 ACE2 (1.00) ACE2ACECYP11B1CYP11B2GRN
Ore-1001 SCHEMBL1656029 0.93 ACE2 (1.00) ACE2ACECYP11B1CYP11B2GRN
Ore-1001 SCHEMBL1691045 0.93 ACE2 (1.00) ACE2ACECYP11B1CYP11B2GRN
Ore-1001 SCHEMBL1691048 0.93 ACE2 (1.00) ACE2ACECYP11B1CYP11B2GRN

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 7 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
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 ACE2 2/4885ACE 1/4885CYP11B1 256/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR ACE2 2/4885ACE 1/4885CYP11B1 1239/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR ACE2 2/4885ACE 1/4885CYP11B1 1239/4885

“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.