SCHEMBL5870089

SCHEMBL5870089

CC(C)CC(NC(Cn1ccn(CCc2ccc(F)cc2)c1=O)C(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.38
MMP3 P08254 2/20 0.38
MMP1 P03956 4/20 0.38
MMP9 P14780 4/20 0.38
MAPT P10636 1/20 0.37
CNR2 P34972 1/20 0.37
FOLH1 Q04609 1/20 0.36
CTSL P07711 3/20 0.35
MAPK14 Q16539 1/20 0.35
ACE2 Q9BYF1 1/20 0.35

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
SCHEMBL5870321 1.00 ANPEP (0.38) ANPEPMMP3MMP1MMP9MAPT
SCHEMBL5870317 1.00 ANPEP (0.38) ANPEPMMP3MMP1MMP9MAPT
SCHEMBL7426808 0.90 MMP1 (0.46) ANPEPMMP3MMP1MMP9
SCHEMBL5869981 0.89 ACE2 (0.42) ANPEPMAPTCNR2FOLH1CTSL
SCHEMBL5869974 0.89 ACE2 (0.42) ANPEPMAPTCNR2FOLH1CTSL
SCHEMBL5869972 0.89 ACE2 (0.42) ANPEPMAPTCNR2FOLH1CTSL
SCHEMBL5869703 0.88 MMP1 (0.48) ANPEPMMP3MMP1MMP9FOLH1
SCHEMBL5870191 0.88 MMP1 (0.48) ANPEPMMP3MMP1MMP9FOLH1
SCHEMBL5870188 0.88 MMP1 (0.48) ANPEPMMP3MMP1MMP9FOLH1
SCHEMBL5869421 0.83 MMP1 (0.39) MMP3MMP1MMP9

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 ANPEP 118/4885MMP3 379/4885MMP1 1393/4885
US-20200360258-A1 METHODS FOR MODULATING PIGMENTATION BY ANGIOTENSIN-CONVERTING ENZYME 2 MODULATION ACE, ACE2, TYR ANPEP 64/4885MMP3 82/4885MMP1 111/4885
US-11337909-B2 Methods for modulating pigmentation by angiotensin-converting enzyme 2 modulation ACE, ACE2, TYR ANPEP 64/4885MMP3 82/4885MMP1 111/4885

“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.