SCHEMBL3323868

SCHEMBL3323868

CC1(C(=O)NCCc2cccs2)CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.59
NPC1 O15118 5/20 0.52
RAB9A P51151 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
METAP2 P50579 3/20 0.51
TAAR1 Q96RJ0 1/20 0.48
ADAM17 P78536 2/20 0.47
BRD4 O60885 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 3/20 0.45
ALDH1A1 P00352 2/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.44
DRD2 P14416 1/20 0.44
DRD4 P21917 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
SCHEMBL3321983 0.93 HSD11B1 (0.61) HSD11B1NPC1RAB9ASMN1; SMN2METAP2
SCHEMBL3319986 0.86 HPGD (0.58) HSD11B1METAP2LMNAHPGDALDH1A1
SCHEMBL14491572 0.80 SMN1; SMN2 (0.57) HSD11B1NPC1RAB9ASMN1; SMN2METAP2
SCHEMBL29273913 0.79 SMN1; SMN2 (0.63) HSD11B1NPC1RAB9ASMN1; SMN2METAP2
SCHEMBL13333114 0.79 HSD11B1 (0.59) HSD11B1SMN1; SMN2METAP2LMNAHPGD
SCHEMBL20930316 0.77 HSD11B1 (0.53) HSD11B1NPC1RAB9ASMN1; SMN2METAP2
SCHEMBL22365504 0.76 HSD11B1 (0.49) HSD11B1NPC1RAB9ASMN1; SMN2METAP2
SCHEMBL3318166 0.76 HSD11B1 (0.63) HSD11B1NPC1RAB9ASMN1; SMN2METAP2
SCHEMBL3319479 0.75 HSD11B1 (0.81) HSD11B1ADAM17
SCHEMBL863136 0.75 NPC1 (0.66) HSD11B1NPC1RAB9ASMN1; SMN2TAAR1

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.