SCHEMBL3320862

SCHEMBL3320862

O=C(CSCc1cccs1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.56
CYP3A4 P08684 2/20 0.54
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 4/20 0.51
NPC1 O15118 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.44
PTGES O14684 1/20 0.41
GLA P06280 1/20 0.41

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
SCHEMBL3318119 0.78 ALDH1A1 (0.52) HSD11B1CYP3A4KMT2AALDH1A1NPC1
SCHEMBL3323180 0.76 HSD11B1 (0.56) HSD11B1CYP3A4KMT2AALDH1A1HPGD
SCHEMBL3323248 0.76 HSD11B1 (0.56) HSD11B1CYP3A4KMT2AALDH1A1HPGD
SCHEMBL3323361 0.76 POLB (0.58) HSD11B1KMT2AALDH1A1NPC1HPGD
SCHEMBL3321817 0.75 ALDH1A1 (0.48) CYP3A4KMT2AALDH1A1NPC1HPGD
SCHEMBL1769928 0.75 CYP17A1 (0.55) HSD11B1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL3321305 0.74 HSD11B1 (0.54) HSD11B1CYP3A4KMT2AALDH1A1KDM4E
SCHEMBL13333206 0.74 HSD11B1 (0.69) HSD11B1CYP3A4KMT2AALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3325106 0.73 HSD11B1 (0.67) HSD11B1CYP3A4KMT2AALDH1A1SMN1; SMN2
SCHEMBL13315850 0.73 HPGD (0.60) ALDH1A1NPC1HPGDRAB9ASMN1; 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 4 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-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 3/4885CYP3A4 72/4885KMT2A 3083/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 HSD11B1 73/4885CYP3A4 100/4885KMT2A 2533/4885

“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.