SCHEMBL4635799

SCHEMBL4635799

N#Cc1ccc(S(=O)(=O)N2CC3C(N)C3C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.50
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PKM P14618 1/20 0.47
PKLR P30613 1/20 0.47
TRPV4 Q9HBA0 3/20 0.46
EPHX2 P34913 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CCR6 P51684 2/20 0.43
CYP19A1 P11511 1/20 0.43
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4635004 0.79 PKM (0.56) GAAPKMALDH1A1CYP2C19
SCHEMBL4635774 0.79 ALDH1A1 (0.47) EPHX2CA2ALDH1A1CYP3A4CYP2D6
SCHEMBL4636596 0.79 PKM (0.53) L3MBTL1PKMPKLRALDH1A1CYP3A4
SCHEMBL7904364 0.78 CYP2C9 (0.52) GAAL3MBTL1PKMALDH1A1CYP2D6
SCHEMBL14421722 0.78 EPHX2 (0.56) GAAL3MBTL1PKMPKLREPHX2
SCHEMBL4636703 0.75 ALDH1A1 (0.51) GAAL3MBTL1EPHX2ALDH1A1
SCHEMBL4669908 0.75 HSD11B1 (0.62) GAAALDH1A1CYP3A4CYP2C19
SCHEMBL13271173 0.75 USP2 (0.62) GAAL3MBTL1PKMPKLREPHX2
Hydrochloric Acid SCHEMBL31155696 0.74 CCR6 (0.59) PAX8GAAL3MBTL1PKMPKLR
SCHEMBL14189453 0.74 PAX8 (0.46) PAX8GAAL3MBTL1PKMPKLR

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 PAX8 610/4885GAA 267/4885L3MBTL1 3704/4885

“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.