SCHEMBL1769949

SCHEMBL1769949

Cn1ccnc1[S+]([O-])CC(=O)C1(c2ccc(Cl)cc2)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 0.42
HDAC4 P56524 1/20 0.39
ALDH1A1 P00352 3/20 0.37
FFAR2 O15552 1/20 0.37
QPCT Q16769 1/20 0.37
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
OPRM1 P35372 1/20 0.35

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
SCHEMBL1770067 0.99 HSD11B1 (0.40) HSD11B1HDAC4ALDH1A1FFAR2QPCT
SCHEMBL1770356 0.97 HSD11B1 (0.40) HSD11B1HDAC4ALDH1A1FFAR2QPCT
SCHEMBL1770419 0.96 HSD11B1 (0.39) HSD11B1ALDH1A1NPC1POLBRAB9A
SCHEMBL1770425 0.80 HSD11B1 (0.40) HSD11B1HDAC4ALDH1A1QPCTOPRM1
SCHEMBL1770290 0.78 HSD11B1 (0.45) HSD11B1HDAC4ALDH1A1FFAR2LMNA
SCHEMBL1770094 0.76 ALDH1A1 (0.58) HSD11B1ALDH1A1MAPTNPC1POLB
SCHEMBL12596442 0.75 HSD11B1 (0.43) HSD11B1HDAC4ALDH1A1FFAR2QPCT
SCHEMBL13688892 0.75 HSD11B1 (0.43) HSD11B1HDAC4ALDH1A1MAPTNPSR1
SCHEMBL1770056 0.75 ALDH1A1 (0.59) ALDH1A1MAPTNPC1POLBRAB9A
SCHEMBL12596479 0.74 HSD11B1 (0.46) HSD11B1HDAC4ALDH1A1FFAR2LMNA

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 4 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
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 1/4885HDAC4 1338/4885ALDH1A1 307/4885

“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.