SCHEMBL3117971

SCHEMBL3117971

CCCC([O])S(=O)(=O)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.33
CA2 P00918 2/20 0.33
TP53 P04637 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3105622 0.77 TSHR (0.30) TSHR
SCHEMBL3114785 0.74 CA1 (0.34) CA12CA2TP53CA1CA7
SCHEMBL22703522 0.74 TP53 (0.39) CA12CA2TP53CA1CA7
SCHEMBL1121511 0.74
SCHEMBL309721 0.72
Butane SCHEMBL28641708 0.72 TP53 (0.35) CA12CA2TP53CA1CA7
SCHEMBL776309 0.71 TP53 (0.41) CA12CA2TP53CA1CA7
SCHEMBL3110615 0.70 CA2 (0.32) CA12CA2CA1CA7CA14
SCHEMBL6754573 0.70 TP53 (0.41) CA12CA2TP53CA1CA7
SCHEMBL27535250 0.69 CA12 (0.34) CA12CA2TP53CA1CA7

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 CA12 325/4885CA2 571/4885TP53 4755/4885

“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.