SCHEMBL3321983

SCHEMBL3321983

CC1(C(=O)NCCc2cccs2)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.61
NPC1 O15118 5/20 0.56
RAB9A P51151 5/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
METAP2 P50579 3/20 0.54
TAAR1 Q96RJ0 2/20 0.51
ADAM17 P78536 3/20 0.50
BRD4 O60885 1/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL3323868 0.93 HSD11B1 (0.59) HSD11B1NPC1RAB9ASMN1; SMN2METAP2
SCHEMBL13333114 0.85 HSD11B1 (0.59) HSD11B1SMN1; SMN2METAP2LMNAALDH1A1
SCHEMBL3319986 0.78 HPGD (0.58) HSD11B1METAP2LMNAALDH1A1MAPT
SCHEMBL863136 0.78 NPC1 (0.66) HSD11B1NPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL20930316 0.78 HSD11B1 (0.53) HSD11B1NPC1RAB9ASMN1; SMN2METAP2
SCHEMBL29273913 0.77 SMN1; SMN2 (0.63) HSD11B1NPC1RAB9ASMN1; SMN2METAP2
SCHEMBL13333009 0.76 HSD11B1 (1.00) HSD11B1NPC1RAB9ASMN1; SMN2METAP2
SCHEMBL2731878 0.76 NPC1 (0.68) HSD11B1NPC1RAB9ASMN1; SMN2METAP2
SCHEMBL14491572 0.76 SMN1; SMN2 (0.57) HSD11B1NPC1RAB9ASMN1; SMN2METAP2
SCHEMBL3323624 0.76 HSD11B1 (0.70) HSD11B1NPC1RAB9ASMN1; SMN2METAP2

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-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 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 (2 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-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 HSD11B1 3/4885NPC1 1106/4885RAB9A 2432/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 HSD11B1 73/4885NPC1 2474/4885RAB9A 2176/4885

“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.