SCHEMBL2104712

SCHEMBL2104712

[CH2]S(=O)(=O)N1CCC(C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.35
POLB P06746 1/20 0.34
GAA P10253 1/20 0.32
SPR P35270 1/20 0.30
CNR1 P21554 3/20 0.30
CNR2 P34972 2/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 1/20 0.30
TYK2 P29597 1/20 0.30
JAK3 P52333 1/20 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
SCHEMBL1822000 0.80 CA1 (0.42) HSD11B1POLBGAASPRCNR1
SCHEMBL16825250 0.80 POLB (0.38) HSD11B1POLBGAASPRCNR1
SCHEMBL2104714 0.78 TP53 (0.44) HSD11B1
SCHEMBL18711984 0.75 HSD11B1 (0.36) HSD11B1POLBGAAJAK2JAK1
SCHEMBL28580229 0.74 CNR1 (0.35) HSD11B1POLBGAACNR1CNR2
SCHEMBL29905796 0.74 ALDH1A1 (0.58) GAAJAK2JAK1TYK2JAK3
SCHEMBL445149 0.69
SCHEMBL28578134 0.69 ALDH1A1 (0.33) HSD11B1POLBGAASPR
Formaldehyde SCHEMBL28550791 0.67
SCHEMBL25279069 0.66 TP53 (0.38) GAACNR1CNR2

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
EP-1819667-B1 SULFONAMIDE COMPOUNDS AS CYSTEINE PROTEASE INHIBITORS VIROBAY INC (US) 2012-10-17 EP disclosed
US-8163735-B2 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2012-04-24 US disclosed
US-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors VIROBAY, INC. (US) 2009-09-17 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 (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-20090233909-A1 Sulfonamide compounds as cysteine protease inhibitors CTSF, CTSS, CSTB HSD11B1 2605/4885POLB 3763/4885GAA 146/4885

“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.