SCHEMBL5870447

SCHEMBL5870447

CC(C)CC(NC(Cc1cccc(OCc2ccc(C(F)(F)F)cc2C(F)(F)F)c1)C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
GPR132 Q9UNW8 2/20 0.44
MME P08473 2/20 0.44
ACE P12821 2/20 0.44
CPA1 P15085 2/20 0.44
ACE2 Q9BYF1 2/20 0.44
GPR34 Q9UPC5 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.41
NR4A2 P43354 1/20 0.41
MC4R P32245 1/20 0.41
MAOB P27338 2/20 0.41
FOLH1 Q04609 1/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
RXRA P19793 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
CTSL P07711 1/20 0.40
PPARD Q03181 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
SCHEMBL8255778 0.95 TP53 (0.44) TP53GPR132MMEACECPA1
SCHEMBL8249827 0.81 MME (0.62) GPR132MMEACECPA1ACE2
SCHEMBL5869323 0.79 NR4A2 (0.51) GPR132MMEACECPA1ACE2
SCHEMBL5870205 0.79 NR4A2 (0.51) GPR132MMEACECPA1ACE2
SCHEMBL5870201 0.79 NR4A2 (0.51) GPR132MMEACECPA1ACE2
SCHEMBL5869327 0.79 MME (0.52) GPR132MMEACECPA1ACE2
SCHEMBL8249399 0.79 MME (0.52) GPR132MMEACECPA1ACE2
SCHEMBL22654353 0.79 ACE2 (0.33) GPR132MMEACECPA1ACE2
SCHEMBL5870250 0.78 FOLH1 (0.51) GPR132MMEACECPA1ACE2
SCHEMBL5870573 0.78 FOLH1 (0.51) GPR132MMEACECPA1ACE2

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 5 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-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 TP53 4870/4885GPR132 255/4885MME 11/4885

“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.