SCHEMBL5217778

SCHEMBL5217778

CC(C)S(=O)(=O)N1CCC(C)(N)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
EPHX2 P34913 2/20 0.35
MMP13 P45452 4/20 0.33
ADAM17 P78536 4/20 0.33
MMP2 P08253 3/20 0.33
CYP2D6 P10635 3/20 0.33
NOS2 P35228 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MMP1 P03956 1/20 0.32
MMP9 P14780 1/20 0.32
MMP14 P50281 1/20 0.32
POLB P06746 1/20 0.31
CYP2C19 P33261 1/20 0.30
JAK2 O60674 1/20 0.30
JAK1 P23458 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
SCHEMBL12599351 0.83 HRH3 (0.37) HRH3EPHX2MMP13ADAM17MMP2
SCHEMBL26144775 0.78 HRH3 (0.37) HRH3EPHX2MMP13ADAM17MMP2
SCHEMBL13100462 0.77
SCHEMBL3782563 0.76 CYP2D6 (0.44) CYP2D6SMN1; SMN2CYP2C19
SCHEMBL14417816 0.74 POLB (0.38) POLB
SCHEMBL5405216 0.72 EPHX2 (0.44) HRH3EPHX2POLBCYP2C19
SCHEMBL16022965 0.72 EPHX2 (0.44) HRH3EPHX2SMN1; SMN2POLB
SCHEMBL20719249 0.71 CYP2D6 (0.41) HRH3EPHX2MMP13ADAM17MMP2
SCHEMBL24735804 0.70 CA1 (0.48) EPHX2POLBCYP2C19
SCHEMBL15893903 0.70 CA1 (0.48) EPHX2POLBCYP2C19

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1399433-B1 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-08-22 EP disclosed
US-7183290-B2 Fluoropyrrolidines as dipeptidyl peptidase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2007-02-27 US disclosed
US-20040242636-A1 Enzyme inhibitors as antiinflammatory ageents for psoriasis, obesity SMITHKLINE BEECHAM CORPORATION 2004-12-02 US disclosed
EP-1399433-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-24 EP disclosed
WO-2003002553-A2 FLUOROPYRROLIDINES AS DIPEPTIDYL PEPTIDASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-01-09 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-20040242636-A1 Enzyme inhibitors as antiinflammatory ageents for psoriasis, obesity DPP4, DPP7, DPP3 HRH3 1375/4885EPHX2 2070/4885MMP13 69/4885

“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.