SCHEMBL5869916

SCHEMBL5869916

CC(=O)C(=O)C(CNC(CC(C)C)C(=O)O)Cc1cncn1Nc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.38
ACE P12821 3/20 0.38
LTA4H P09960 1/20 0.38
MME P08473 2/20 0.35
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
DGAT1 O75907 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
CPA1 P15085 1/20 0.32
CPB1 P15086 1/20 0.32
CPA2 P48052 1/20 0.32
CPA4 Q9UI42 1/20 0.32

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
SCHEMBL5869579 0.82 ACE2 (0.54) ACE2ACELTA4HMMEGRN
SCHEMBL7379017 0.79 GRN (0.38) ACE2ACELTA4HMMEGRN
SCHEMBL5870035 0.79 ACE2 (0.48) ACE2ACEMME
SCHEMBL5869920 0.78 NR4A2 (0.34) ACE2ACELTA4HMAPK1
SCHEMBL7383996 0.77 MMP1 (0.38) MMEGRNSORT1DGAT1GAA
SCHEMBL5870351 0.70 LTA4H (0.39) ACE2LTA4HMMEMAPK1CPA1
SCHEMBL7379013 0.69 NOS1 (0.32) ACE2ACE
SCHEMBL7383989 0.67 LMNA (0.31) ACE2ACE
SCHEMBL7379326 0.66 GAA (0.42) ACE2ACEMMEGRNSORT1
SCHEMBL7379541 0.66 NR4A2 (0.36) ACE2ACEGRNSORT1

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 10 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-6632830-B1 Blood pressure related disease or disorder, cell proliferation disorder, kidney disorder, kinetensin associated disorder, inflammation associated disorder, or an allergic disorder MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 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
EP-3717077-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION Max-Delbrück-Centrum für Molekulare Medizin in der Helmholtz-Gemeinschaft (DE) 2020-10-07 EP 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
US-6632830-B1 Blood pressure related disease or disorder, cell proliferation disorder, kidney disorder, kinetensin associated disorder, inflammation associated disorder, or an allergic disorder MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 US disclosed
WO-2000066104-A9 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2002-08-29 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 1/4885LTA4H 1191/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR ACE2 2/4885ACE 1/4885LTA4H 412/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR ACE2 2/4885ACE 1/4885LTA4H 412/4885

“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.