SCHEMBL8249013

SCHEMBL8249013

CC(C)CC(N[C@H](CC(=O)O)Cc1ccsc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 5/20 0.44
FOLH1 Q04609 1/20 0.40
OPRM1 P35372 3/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
LTA4H P09960 1/20 0.38
ACE P12821 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 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
SCHEMBL5870042 1.00 MME (0.44) MMEFOLH1OPRM1OPRD1OPRK1
SCHEMBL8248805 0.81 FOLH1 (0.48) MMEFOLH1LTA4HACE
SCHEMBL5869820 0.81 FOLH1 (0.48) MMEFOLH1LTA4HACE
SCHEMBL5869880 0.78 CYP2C19 (0.49) CTSK
SCHEMBL8258150 0.78 CYP2C19 (0.49) CTSK
SCHEMBL22092489 0.76 MME (0.43) MMEOPRM1OPRD1OPRK1CTSS
SCHEMBL2628231 0.74 MME (0.45) MMEOPRM1OPRD1OPRK1CTSS
SCHEMBL754158 0.74 MME (0.45) MMEOPRM1OPRD1OPRK1CTSS
SCHEMBL5869885 0.73 MMP3 (0.47) MMELTA4HACE
SCHEMBL8255233 0.73 MMP3 (0.47) MMELTA4HACE

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MME 11/4885FOLH1 229/4885OPRM1 486/4885

“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.