SCHEMBL5597730

SCHEMBL5597730

O=C(O)N1CCC(C(F)CO)CC1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CPN1 P15169 3/20 0.37
CPB2 Q96IY4 3/20 0.37
DPP4 P27487 6/20 0.32
DPP8 Q6V1X1 2/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 3/20 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
SCHEMBL14624185 0.83 CPN1 (0.41) CPN1CPB2DPP4DPP8DPP9
SCHEMBL18705550 0.80 CPN1 (0.36) CPN1CPB2DPP4DPP8DPP9
SCHEMBL8513454 0.79 CPN1 (0.37) CPN1CPB2DPP4DPP8DPP9
SCHEMBL27863433 0.77 CPN1 (0.39) CPN1CPB2DPP4DPP8DPP9
SCHEMBL5598021 0.75 DPP4 (0.51) DPP4
SCHEMBL18693474 0.75 DPP4 (0.51) DPP4
SCHEMBL18693473 0.75 DPP4 (0.51) DPP4
SCHEMBL19030414 0.74 CPN1 (0.34) CPN1CPB2DPP4DPP7
SCHEMBL5993908 0.74 CPN1 (0.39) CPN1CPB2DPP4DPP8DPP9
SCHEMBL5994169 0.74 CPN1 (0.39) CPN1CPB2DPP4DPP8DPP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017060873-A1 SUBSTITUTED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXYLIC ACIDS AND THEIR USE AbbVie S.à.r.l. (LU) 2017-04-13 WO disclosed
WO-2017060874-A1 N-SULFONYLATED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE ABBVIE S.Á.R.L (LU) 2017-04-13 WO disclosed
US-7265249-B2 Enantioselective alpha-fluorination of aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2007-09-04 US disclosed
US-20060189830-A1 Enantioselective alpha-fluorination of aldehydes using chiral organic catalysts CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2006-08-24 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-20060189830-A1 Enantioselective alpha-fluorination of aldehydes using chiral organic catalysts ALDH3A1, ALDH1A1, POLL CPN1 643/4885CPB2 3222/4885DPP4 3317/4885

“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.