SCHEMBL3117983

SCHEMBL3117983

CC(C)S(=O)(=O)CCCCO

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.38
ATR Q13535 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
GRIA1 P42261 3/20 0.30

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
SCHEMBL7352870 0.98 CA2 (0.41) CA2ATRSMN1; SMN2LMNAALDH1A1
SCHEMBL3105631 0.92 ATR (0.39) CA2ATRALDH1A1GRIA1
SCHEMBL3116195 0.81
1,4-Butanediol SCHEMBL7623431 0.78 GRIA1 (0.40) CA2ATRSMN1; SMN2LMNAALDH1A1
1,4-Butanediol SCHEMBL28294560 0.78 GRIA1 (0.40) CA2ATRSMN1; SMN2LMNAALDH1A1
SCHEMBL5505478 0.77 CA2 (0.59) CA2SMN1; SMN2LMNAALDH1A1HSD17B10
SCHEMBL3117978 0.77 CA2 (0.39) CA2GRIA1
SCHEMBL13588751 0.76 GRIA1 (0.33) ATRGRIA1
SCHEMBL14519882 0.75 CA2 (0.63) CA2TSHR
SCHEMBL1911477 0.75 CA2 (0.63) CA2TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8222417-B2 Compound having 11β-HSD1 inhibitory activity TAISHO PHARMACEUTICAL CO., LTD (JP) 2012-07-17 US disclosed
US-20100179325-A1 COMPOUND HAVING 11BETA-HSD1 INHIBITORY ACTIVITY TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-07-15 US disclosed
EP-2172453-A1 COMPOUND HAVING 11 ß-HSD1 INHIBITORY ACTIVITY Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-07 EP 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-20100179325-A1 COMPOUND HAVING 11BETA-HSD1 INHIBITORY ACTIVITY HSD11B1, CYP4A11, HSD11B2 CA2 571/4885ATR 4439/4885SMN1; SMN2 3948/4885

“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.