SCHEMBL2219252

SCHEMBL2219252

COc1ccc(O[C@@H]2CCN(C(=O)c3cccc(OC(F)(F)F)c3)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.56
MGLL Q99685 5/20 0.55
MAPK7 Q13164 1/20 0.52
ACACB O00763 1/20 0.50
CACNA1B Q00975 1/20 0.48
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
PDE2A O00408 1/20 0.45

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
SCHEMBL2219256 1.00 HSD11B1 (0.56) HSD11B1MGLLMAPK7ACACBCACNA1B
SCHEMBL2219227 0.90 MGLL (0.57) HSD11B1MGLLALDH1A1L3MBTL1KDM4E
SCHEMBL2219230 0.90 MGLL (0.57) HSD11B1MGLLALDH1A1L3MBTL1KDM4E
SCHEMBL1578443 0.86 UBE2M (0.56) HSD11B1MGLLACACBCACNA1BKMT2A
SCHEMBL1578447 0.86 UBE2M (0.56) HSD11B1MGLLACACBCACNA1BKMT2A
SCHEMBL12515930 0.85 RBP4 (0.50) HSD11B1MGLLALDH1A1MEN1KMT2A
SCHEMBL2219637 0.85 ALDH1A1 (0.61) HSD11B1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL27976746 0.85 RBP4 (0.50) HSD11B1MGLLALDH1A1MEN1KMT2A
SCHEMBL2219630 0.85 ALDH1A1 (0.61) HSD11B1ALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2217297 0.84 MGLL (0.58) HSD11B1MGLLALDH1A1L3MBTL1KDM4E

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-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 US disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 HSD11B1 3190/4885MGLL 692/4885MAPK7 1837/4885

“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.