SCHEMBL1770001

SCHEMBL1770001

O=C(C[S+]([O-])c1ccccn1)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.46
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HDAC4 P56524 1/20 0.37
IDO1 P14902 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL12596479 0.96 HSD11B1 (0.46) HSD11B1LMNAL3MBTL1HTTALDH1A1
SCHEMBL1770290 0.95 HSD11B1 (0.45) HSD11B1LMNAL3MBTL1HTTALDH1A1
SCHEMBL1770419 0.76 HSD11B1 (0.39) HSD11B1LMNAL3MBTL1NPC1RAB9A
SCHEMBL27823367 0.75 SLC6A4 (0.38) HSD11B1LMNAPTGS1PTGS2NPC1
SCHEMBL1770039 0.74 ALDH1A1 (0.53) HSD11B1LMNAL3MBTL1NPC1RAB9A
SCHEMBL1769921 0.73 POLB (0.51) HSD11B1LMNAL3MBTL1PTGS1PTGS2
SCHEMBL1770067 0.73 HSD11B1 (0.40) HSD11B1LMNAL3MBTL1NPC1RAB9A
SCHEMBL1770356 0.73 HSD11B1 (0.40) HSD11B1LMNAL3MBTL1NPC1RAB9A
SCHEMBL8028296 0.72 HSD11B1 (0.51) HSD11B1LMNAL3MBTL1PTGS1PTGS2
SCHEMBL1769949 0.72 HSD11B1 (0.42) HSD11B1LMNAL3MBTL1NPC1RAB9A

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-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
US-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE STERIX LIMITED (GB) 2011-05-12 US disclosed
EP-2257528-A2 1 IBETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2010-12-08 EP disclosed
WO-2009106817-A2 COMPOUND STERIX LIMITED (GB) 2009-09-03 WO disclosed
WO-2009106817-A2 COMPOUND STERIX LIMITED (GB) 2009-09-03 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-20110112151-A1 COMPOUND CAPABLE OF INHIBITING 11-BETA HYDROXYSTERIOD DEHYDROGENASE HSD11B1, HSD11B2, HSD3B1 HSD11B1 1/4885LMNA 3795/4885L3MBTL1 1884/4885

“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.