SCHEMBL5869299

SCHEMBL5869299

CC(C)CC(NC(Cn1ccn(CCc2cccc(Cl)c2)c1=O)C(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.44
ACE2 Q9BYF1 4/20 0.43
ACE P12821 4/20 0.43
MMP1 P03956 5/20 0.39
MMP9 P14780 5/20 0.39
GRN P28799 2/20 0.39
SORT1 Q99523 2/20 0.39
NTSR1 P30989 1/20 0.39
MMP3 P08254 3/20 0.38
OPRK1 P41145 1/20 0.38
MDM2 Q00987 1/20 0.37
FOLH1 Q04609 1/20 0.37

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
SCHEMBL5869287 1.00 MAPK1 (0.44) MAPK1ACE2ACEMMP1MMP9
SCHEMBL5869290 1.00 MAPK1 (0.44) MAPK1ACE2ACEMMP1MMP9
SCHEMBL5869646 0.90 ACE2 (0.48) MAPK1ACE2ACEGRNSORT1
SCHEMBL5869641 0.90 ACE2 (0.48) MAPK1ACE2ACEGRNSORT1
SCHEMBL5869636 0.90 ACE2 (0.48) MAPK1ACE2ACEGRNSORT1
SCHEMBL7426808 0.88 MMP1 (0.46) ACEMMP1MMP9NTSR1MMP3
SCHEMBL5870191 0.88 MMP1 (0.48) MMP1MMP9NTSR1MMP3FOLH1
SCHEMBL5870188 0.88 MMP1 (0.48) MMP1MMP9NTSR1MMP3FOLH1
SCHEMBL5869703 0.88 MMP1 (0.48) MMP1MMP9NTSR1MMP3FOLH1
SCHEMBL5869775 0.82 ACE (0.47) ACE2ACEMMP1MMP9NTSR1

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 9 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
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
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 MAPK1 1850/4885ACE2 2/4885ACE 1/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR MAPK1 2160/4885ACE2 2/4885ACE 1/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR MAPK1 2160/4885ACE2 2/4885ACE 1/4885

“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.