SCHEMBL7052350

SCHEMBL7052350

CCOC(=O)c1[nH]c2c(c1C)C(=O)CCC2

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.74
L3MBTL1 Q9Y468 2/20 0.74
LMNA P02545 6/20 0.66
RAB9A P51151 3/20 0.66
HTT P42858 3/20 0.66
NPC1 O15118 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.66
ALOX15 P16050 2/20 0.66
GAA P10253 1/20 0.66
PTK2 Q05397 1/20 0.66
ALDH1A1 P00352 5/20 0.64
MAPT P10636 3/20 0.64
BRD4 O60885 1/20 0.62
MAPK1 P28482 3/20 0.60
POLB P06746 2/20 0.52
TDP1 Q9NUW8 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ESR1 P03372 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL31355727 0.82 TSHR (0.94) TSHRL3MBTL1LMNARAB9AHTT
SCHEMBL31355731 0.82 TSHR (0.94) TSHRL3MBTL1LMNARAB9AHTT
SCHEMBL2077313 0.80 PTK2 (1.00) TSHRL3MBTL1LMNARAB9AHTT
SCHEMBL23657930 0.79 ALDH1A1 (0.83) TSHRL3MBTL1LMNARAB9AHTT
SCHEMBL20569319 0.77 MAPK1 (0.70) TSHRL3MBTL1LMNAHTTALOX15
SCHEMBL7823939 0.77 LMNA (0.57) TSHRL3MBTL1LMNARAB9AHTT
SCHEMBL23496567 0.77 BRD4 (1.00) SMN1; SMN2ALDH1A1MAPTBRD4MEN1
SCHEMBL20568606 0.76 CYP1A2 (0.45) TSHRL3MBTL1LMNARAB9AHTT
SCHEMBL7956193 0.76 LMNA (0.56) TSHRL3MBTL1LMNARAB9AHTT
SCHEMBL13083617 0.75 CYP1A2 (0.50) TSHRL3MBTL1LMNAHTTALOX15

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-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
EP-1054667-B1 BICYCLIC PYRROLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIINFLAMMATORY AND IMMUNOMODULATING AGENTS ASTRAZENECA UK LTD (GB) 2003-04-16 EP disclosed
US-6291507-B1 INHIBITOR OF MONOCYTE CHEMOATTRACTANT PROTEIN-1; INDOLE DERIVATIVES ASTRAZENECA UK LIMITED (GB) 2001-09-18 US disclosed
EP-1054667-A1 BICYCLIC PYRROLE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS ANTIINFLAMMATORY AND IMMUNOMODULATING AGENTS AstraZeneca UK Limited (GB) 2000-11-29 EP disclosed
WO-1999040913-A1 CHEMICAL COMPOUNDS ASTRAZENECA UK LIMITED (GB) 1999-08-19 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-20210137884-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, ALPI TSHR 4071/4885L3MBTL1 1716/4885LMNA 1457/4885

“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.