SCHEMBL4669908

SCHEMBL4669908

CC(C)(C)c1ccc(S(=O)(=O)N2CC3C(N)C3C2)cc1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 11/20 0.62
LMNA P02545 2/20 0.58
GAA P10253 1/20 0.58
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.52
ACHE P22303 1/20 0.50
TP53 P04637 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL12062288 0.87 HSD11B1 (0.66) HSD11B1LMNAGAAALDH1A1POLB
SCHEMBL4636703 0.84 ALDH1A1 (0.51) HSD11B1GAAALDH1A1MEN1KMT2A
SCHEMBL4635004 0.82 PKM (0.56) LMNAGAAALDH1A1POLBCYP2C19
SCHEMBL4635774 0.79 ALDH1A1 (0.47) LMNAALDH1A1POLBCYP3A4CYP2C19
SCHEMBL4636596 0.79 PKM (0.53) LMNAALDH1A1POLBCYP3A4CYP2C19
SCHEMBL7904364 0.78 CYP2C9 (0.52) LMNAGAAALDH1A1POLBMEN1
SCHEMBL20772228 0.78 LMNA (0.67) HSD11B1LMNAGAAALDH1A1POLB
SCHEMBL12061779 0.78 HSD11B1 (0.71) HSD11B1LMNAGAAALDH1A1POLB
SCHEMBL12169350 0.78 HSD11B1 (0.62) HSD11B1LMNAGAAALDH1A1POLB
SCHEMBL12786780 0.77 HSD11B1 (1.00) HSD11B1LMNAGAAALDH1A1POLB

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-20080300251-A1 Derivatives of 3-Azabicyclo[3.1.0] Hexane as Dipeptidyl Peptidase-IV Inhibitors RANBAXY LABORATORIES LIMITED (IN) 2008-12-04 US disclosed
EP-1931633-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS Ranbaxy Laboratories Limited (IN) 2008-06-18 EP disclosed
WO-2007029086-A2 DERIVATIVES OF 3-AZABICYCLO[3.1.0]HEXANE AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2007-03-15 WO 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-20080300251-A1 Derivatives of 3-Azabicyclo[3.1.0] Hexane as Dipeptidyl Peptidase-IV Inhibitors DPP4, DPP3, DPP8 HSD11B1 251/4885LMNA 3634/4885GAA 267/4885

“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.