SCHEMBL4958719

SCHEMBL4958719

CS(=O)(=O)N[C@@H](Cc1ccccc1)C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.43
CYP3A4 P08684 1/20 0.41
MAPK1 P28482 1/20 0.41
MME P08473 1/20 0.41
BCHE P06276 1/20 0.40
BACE1 P56817 3/20 0.40
CTSD P07339 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SLC6A11 P48066 1/20 0.40
CCR1 P32246 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
SCHEMBL4250482 1.00 CA2 (0.43) CA2CYP3A4MAPK1MMEBCHE
SCHEMBL4958715 1.00 CA2 (0.43) CA2CYP3A4MAPK1MMEBCHE
SCHEMBL4248708 0.86 CA2 (0.46) CA2CYP3A4MAPK1BCHEBACE1
SCHEMBL4248713 0.86 CA2 (0.46) CA2CYP3A4MAPK1BCHEBACE1
SCHEMBL4959183 0.84 CTRB1 (0.48) CA2CYP3A4MAPK1
SCHEMBL4959188 0.84 CTRB1 (0.48) CA2CYP3A4MAPK1
SCHEMBL4958681 0.81 CA2 (0.52) CA2CYP3A4MAPK1BCHECCR1
SCHEMBL4958673 0.81 CA2 (0.52) CA2CYP3A4MAPK1BCHECCR1
SCHEMBL4957679 0.79 CA2 (0.43) CA2CYP3A4MMEBCHEBACE1
SCHEMBL4957683 0.79 CA2 (0.43) CA2CYP3A4MMEBCHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2465856-A2 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP claimed
US-20080161246-A1 Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example ABBOTT LABORATORIES (US) 2008-07-03 US claimed
EP-2465856-A2 Cytochrome P450 oxidase inhibitors and uses thereof Abbott Laboratories (US) 2012-06-20 EP disclosed
US-20080161246-A1 Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example ABBOTT LABORATORIES (US) 2008-07-03 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-20080161246-A1 Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example CYP3A4, CYP3A5, CYP2B6 CA2 682/4885CYP3A4 1/4885MAPK1 3169/4885

“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.