SCHEMBL5870587

SCHEMBL5870587

CC(C)CC(NC(Cc1ccc(C(=O)Nc2ccccc2)cc1)C(=O)O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 2/20 0.52
TRPV1 Q8NER1 1/20 0.50
DGAT1 O75907 1/20 0.48
FOLH1 Q04609 2/20 0.48
PTPN1 P18031 3/20 0.47
MME P08473 3/20 0.47
ACE P12821 1/20 0.47
CPA1 P15085 1/20 0.47
ACE2 Q9BYF1 1/20 0.47
NR1H4 Q96RI1 1/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL8255930 1.00 MMP9 (0.52) MMP9TRPV1DGAT1FOLH1PTPN1
SCHEMBL8255226 0.87 LMNA (0.52) MMP9FOLH1MEN1NPC1RAB9A
SCHEMBL5869961 0.87 LMNA (0.52) MMP9FOLH1MEN1NPC1RAB9A
SCHEMBL5869935 0.86 GRN (0.52) MMP9FOLH1ACEACE2
SCHEMBL8249603 0.86 GRN (0.52) MMP9FOLH1ACEACE2
SCHEMBL8254938 0.84 PPARG (0.60) PTPN1NR1H4NPC1RAB9AHDAC1
SCHEMBL5869785 0.84 PPARG (0.60) PTPN1NR1H4NPC1RAB9AHDAC1
SCHEMBL8257978 0.84 MME (0.62) MMP9FOLH1MMEACECPA1
SCHEMBL5869326 0.84 MME (0.62) MMP9FOLH1MMEACECPA1
SCHEMBL8258735 0.84 MME (0.62) MMP9FOLH1MMEACECPA1

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 6 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 MMP9 1346/4885TRPV1 2312/4885DGAT1 1134/4885

“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.