SCHEMBL3321884

SCHEMBL3321884

O=C(NCCc1cccs1)C12CC3CC(CC(O)(C3)C1)C2

nearest known ligand 0.78

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.78
KMT2A Q03164 1/20 0.50
CYP3A4 P08684 1/20 0.48
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
METAP2 P50579 3/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 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
SCHEMBL3319514 0.88 HSD11B1 (0.77) HSD11B1KMT2ACYP3A4TSHRSMN1; SMN2
SCHEMBL13333009 0.88 HSD11B1 (1.00) HSD11B1KMT2ACYP3A4SMN1; SMN2NPC1
SCHEMBL13361609 0.82 HSD11B1 (0.88) HSD11B1KMT2ACYP3A4SMN1; SMN2NPC1
SCHEMBL3323624 0.79 HSD11B1 (0.70) HSD11B1KMT2ACYP3A4SMN1; SMN2NPC1
SCHEMBL3322991 0.77 HSD11B1 (0.75) HSD11B1KMT2ACYP3A4SMN1; SMN2NPC1
SCHEMBL3320994 0.77 HSD11B1 (0.78) HSD11B1KMT2ACYP3A4
SCHEMBL18279645 0.75 KDM4E (0.50) HSD11B1KMT2ATSHRSMN1; SMN2KDM4E
SCHEMBL3327946 0.75 HSD11B1 (1.00) HSD11B1KMT2ACYP3A4KDM4EALDH1A1
SCHEMBL13950152 0.73 HSD11B1 (0.61) HSD11B1KMT2ACYP3A4SMN1; SMN2NPC1
SCHEMBL3322037 0.73 HSD11B1 (0.69) HSD11B1SMN1; SMN2NPC1RAB9AKDM4E

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 3/4885KMT2A 3083/4885CYP3A4 72/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 HSD11B1 73/4885KMT2A 2533/4885CYP3A4 100/4885

“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.