SCHEMBL4635459

SCHEMBL4635459

CS(=O)(=O)Nc1ccc(N2CC3C(N)C3C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ADRB1 P08588 6/20 0.43
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KEAP1 Q14145 1/20 0.42
KIF11 P52732 1/20 0.40
LTA4H P09960 1/20 0.40
JAK2 O60674 2/20 0.39
JAK3 P52333 2/20 0.39
ADRB2 P07550 2/20 0.39
ADRB3 P13945 2/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL4635298 0.80 ALDH1A1 (0.64) CA12CA1CA2CA9ALDH1A1
SCHEMBL28704613 0.78 JAK2 (0.49) CA12CA1CA2CA9ADRB1
SCHEMBL4635923 0.77 CRHBP (0.47) CA12CA1CA2CA9ADRB1
SCHEMBL28824858 0.75 MAPT (0.60) ALDH1A1HPGDKDM4ELMNAHTT
SCHEMBL16261606 0.73 MAPT (0.63) ALDH1A1HPGDKDM4ELMNAHTT
SCHEMBL28046254 0.73 JAK2 (0.56) ADRB1ALDH1A1JAK2JAK3ADRB2
SCHEMBL10426116 0.72 ALDH1A1 (0.59) ADRB1ALDH1A1KDM4ESMN1; SMN2JAK2
SCHEMBL7301452 0.72 JAK2 (0.64) ADRB1ALDH1A1SMN1; SMN2JAK2JAK3
SCHEMBL5851742 0.71 HTR6 (0.64) ADRB1ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL10426727 0.71 ALDH1A1 (0.58) ADRB1ALDH1A1KDM4ESMN1; SMN2JAK2

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 CA12 313/4885CA1 75/4885CA2 257/4885

“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.