SCHEMBL7567141

SCHEMBL7567141

CC(C)(C)OC(=O)[C@H](CN)CS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.44
MMP13 P45452 4/20 0.44
MMP2 P08253 3/20 0.39
MMP9 P14780 2/20 0.39
MMP8 P22894 2/20 0.39
MMP1 P03956 2/20 0.39
MMP3 P08254 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RECQL P46063 1/20 0.39
RAB9A P51151 1/20 0.39
PSIP1 O75475 1/20 0.39
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA7 P43166 1/20 0.37
CA14 Q9ULX7 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
MAPT P10636 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
SCHEMBL27289808 0.83 GBA1 (0.41) HSD11B1MMP13MMP2MMP9MMP8
SCHEMBL27764532 0.81 MMP13 (0.42) HSD11B1MMP13MMP2MMP1NPC1
SCHEMBL7862241 0.77 MMP13 (0.44) MMP13MMP2MMP9MMP8MMP1
SCHEMBL7571011 0.77 SYK (0.54) MMP13CA12CA1CA7CA14
SCHEMBL27289804 0.76 ITGA4 (0.41) HSD11B1MMP13ALDH1A1CA12CA1
SCHEMBL7567145 0.76 LTA4H (0.46) HSD11B1MMP13MMP1NPC1ALDH1A1
SCHEMBL7746226 0.75 HSD11B1 (0.44) HSD11B1MMP13NPC1ALDH1A1RECQL
SCHEMBL7215717 0.74 ALDH1A1 (0.47) MMP13MMP2MMP9MMP8ALDH1A1
SCHEMBL7215705 0.74 ALDH1A1 (0.47) MMP13MMP2MMP9MMP8ALDH1A1
Hydrochloric Acid SCHEMBL6504666 0.73 ALDH1A1 (0.46) MMP13MMP2MMP9MMP8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380215-B1 FOR PREVENTION AND/OR TREATMENT OF DISEASES CAUSED BY THROMBUS FORMATION SUCH AS ARTERIAL THROMBOSIS, ARTERIAL SCLEROSIS, ISCHEMIC HEART DISEASES FUJISAWA PHARMACEUTICAL CO., LTD (JP) 2002-04-30 US disclosed
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 2226/4885MMP2 754/4885

“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.