SCHEMBL6474709

SCHEMBL6474709

CC(Cc1ccccc1)NC(=O)c1cccc(CCC(S)C(Cc2ccc(N)nc2)C(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.52
ACE P12821 3/20 0.46
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
HPGD P15428 1/20 0.43
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
HTT P42858 1/20 0.40
ACACB O00763 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
MME P08473 1/20 0.38
MMEL1 Q495T6 1/20 0.38
TP53 P04637 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38

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
SCHEMBL4515230 0.86 CPB2 (0.57) CPB2ACE
SCHEMBL4493363 0.84 CPB2 (0.55) CPB2ACESMN1; SMN2
SCHEMBL4496593 0.84 CPB2 (0.48) CPB2ACE
SCHEMBL4500182 0.83 CPB2 (0.47) CPB2ACENPC1RAB9AKDM4E
SCHEMBL6488008 0.83 CPB2 (0.50) CPB2ACE
SCHEMBL4506255 0.83 CPB2 (0.54) CPB2ACE
SCHEMBL4009042 0.82 CPB2 (0.64) CPB2ACE
SCHEMBL4564838 0.81 CPB2 (0.50) CPB2ACEHPGDSMN1; SMN2MEN1
SCHEMBL4508225 0.81 CPB2 (0.56) CPB2ACEMME
SCHEMBL4498697 0.81 CPB2 (0.52) CPB2ACENPC1RAB9ASMN1; SMN2

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-20050176780-A1 2,5-disubstituted 3-mercaptopentanoic acid ASTRAZENECA AB (SE) 2005-08-11 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-20050176780-A1 2,5-disubstituted 3-mercaptopentanoic acid METAP1, MPST, DNPEP CPB2 26/4885ACE 38/4885NPC1 984/4885

“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.