SCHEMBL5869901

SCHEMBL5869901

COc1ccc(Cn2cnc(CC(NC(CC(C)C)C(=O)O)C(=O)O)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRHDE Q9UKU6 1/20 0.52
CDK5 Q00535 1/20 0.48
CDK5R1 Q15078 1/20 0.48
CPB2 Q96IY4 4/20 0.45
ACE2 Q9BYF1 4/20 0.43
ACE P12821 3/20 0.43
CYP19A1 P11511 1/20 0.41
CPB1 P15086 1/20 0.41
MMP1 P03956 1/20 0.40
ANPEP P15144 1/20 0.40
LDHA P00338 1/20 0.40

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
SCHEMBL8249027 1.00 TRHDE (0.52) TRHDECDK5CDK5R1CPB2ACE2
SCHEMBL5869691 0.89 TRHDE (0.52) TRHDECPB2ACE2ACECPB1
SCHEMBL8250239 0.89 TRHDE (0.52) TRHDECPB2ACE2ACECPB1
SCHEMBL8249152 0.88 TRHDE (0.61) TRHDECPB2ACE2ACECPB1
SCHEMBL8248813 0.88 TRHDE (0.61) TRHDECPB2ACE2ACECPB1
SCHEMBL5870099 0.88 TRHDE (0.61) TRHDECPB2ACE2ACECPB1
SCHEMBL8254696 0.85 TRHDE (0.49) TRHDECPB2ACE2ACECPB1
SCHEMBL5869697 0.85 TRHDE (0.49) TRHDECPB2ACE2ACECPB1
SCHEMBL5869656 0.76 CPB2 (0.46) TRHDECPB2ACE2ACECPB1
SCHEMBL8255862 0.76 CPB2 (0.46) TRHDECPB2ACE2ACECPB1

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 18 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
JP-2002543120-A 2002-12-17 JP claimed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed
EP-1183019-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-03-06 EP claimed
WO-2000066104-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-11-09 WO claimed
US-20240016813-A1 METHODS OF TREATING SYMPTOMS OF CORONAVIRUS INFECTION Accencio LLC 2024-01-18 US disclosed
US-20240016813-A1 METHODS OF TREATING SYMPTOMS OF CORONAVIRUS INFECTION Accencio LLC 2024-01-18 US disclosed
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-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed
EP-1183019-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF Millennium Pharmaceuticals, Inc. (US) 2002-03-06 EP disclosed
WO-2000066104-A2 ACE-2 INHIBITING COMPOUNDS AND METHODS OF USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2000-11-09 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 (4 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 TRHDE 3478/4885CDK5 581/4885CDK5R1 375/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR TRHDE 2756/4885CDK5 1541/4885CDK5R1 1216/4885
US-20240016813-A1 METHODS OF TREATING SYMPTOMS OF CORONAVIRUS INFECTION ACE2, ACE, TMPRSS2 TRHDE 3990/4885CDK5 3026/4885CDK5R1 3060/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR TRHDE 2756/4885CDK5 1541/4885CDK5R1 1216/4885

“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.