SCHEMBL7746226

SCHEMBL7746226

CC(C)(C)OC(=O)CC(N)CS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.44
MMP13 P45452 3/20 0.44
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RECQL P46063 1/20 0.42
RAB9A P51151 1/20 0.42
ABCB1 P08183 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
PSIP1 O75475 1/20 0.39

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
SCHEMBL7674078 0.80 LMNA (0.42) HSD11B1MMP13ALDH1A1PSIP1
SCHEMBL7345314 0.79 HSD11B1 (0.46) HSD11B1MMP13PSIP1
SCHEMBL6504669 0.77 SLC1A2 (0.47) ALDH1A1ABCB1CA2CA9
SCHEMBL901994 0.77 EPHX1 (0.48) CA2CA9
SCHEMBL901961 0.77 EPHX1 (0.48) CA2CA9
SCHEMBL2295757 0.77 EPHX1 (0.48) CA2CA9
SCHEMBL7667735 0.76 CYP1A2 (0.36) HSD11B1MMP13NPC1ALDH1A1RECQL
SCHEMBL7672021 0.76 HSD11B1 (0.39) HSD11B1MMP13NPC1ALDH1A1RAB9A
SCHEMBL7663129 0.76 APOBEC3G (0.41) HSD11B1MMP13ALDH1A1PSIP1
SCHEMBL7567141 0.75 HSD11B1 (0.44) HSD11B1MMP13NPC1ALDH1A1RECQL

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-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-12-13 US disclosed
EP-0669912-B1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-12-05 EP disclosed
EP-1106606-A2 N-(3-piperidinylcarbonyl)-beta-alanine derivatives as paf antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-06-13 EP disclosed
EP-0669912-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-09-06 EP disclosed
WO-1995008536-A1 N-(3-PIPERIDINYLCARBONYL)-BETA-ALANINE DERIVATIVES AS PAF ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-03-30 WO 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-20010051730-A1 Beta-alanine derivative and a process for the preparation thereof F13B, FGB, TGFB1 HSD11B1 1015/4885MMP13 2226/4885NPC1 2613/4885

“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.