SCHEMBL1769927

SCHEMBL1769927

Cn1ccnc1SCC(=O)C1(c2ccc(Cl)cc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
POLB P06746 5/20 0.61
NPC1 O15118 4/20 0.61
RAB9A P51151 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KMT2A Q03164 5/20 0.56
TP53 P04637 2/20 0.52
MEN1 O00255 2/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.46
ALPL P05186 1/20 0.46
ALPG P10696 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
CTSZ Q9UBR2 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL1770056 0.95 ALDH1A1 (0.59) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL1770153 0.95 ALDH1A1 (0.59) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL1770094 0.94 ALDH1A1 (0.58) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL1770195 0.81 HSD11B1 (0.54) ALDH1A1POLBRAB9ASMN1; SMN2KMT2A
SCHEMBL6203085 0.77 ALDH1A1 (0.97) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL1770305 0.77 HSD11B1 (0.55) ALDH1A1POLBRAB9ASMN1; SMN2KMT2A
SCHEMBL1770419 0.75 HSD11B1 (0.39) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL1770266 0.75 OPRM1 (0.40) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL1770039 0.74 ALDH1A1 (0.53) ALDH1A1POLBNPC1RAB9ASMN1; SMN2
SCHEMBL1770050 0.73 ALDH1A1 (0.64) ALDH1A1POLBNPC1RAB9ASMN1; SMN2

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 ALDH1A1 307/4885POLB 1401/4885NPC1 1692/4885

“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.