SCHEMBL18752140

SCHEMBL18752140

CCCCOC(=O)CC(N)Cc1cc(F)c(F)cc1F

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.47
DPP7 Q9UHL4 11/20 0.47
DPP8 Q6V1X1 9/20 0.47

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
SCHEMBL19510002 1.00 DPP4 (0.47) DPP4DPP7DPP8
SCHEMBL1644943 0.86 DPP4 (0.51) DPP4DPP7DPP8
SCHEMBL3985105 0.86 DPP4 (0.51) DPP4DPP7DPP8
SCHEMBL3992304 0.86 DPP4 (0.51) DPP4DPP7DPP8
SCHEMBL25663565 0.86 DPP4 (0.51) DPP4DPP7DPP8
SCHEMBL28177515 0.83 DPP4 (0.41) DPP4DPP7DPP8
SCHEMBL28261299 0.81 DPP4 (0.47) DPP4DPP7DPP8
SCHEMBL743042 0.80 DPP4 (0.53) DPP4DPP7DPP8
SCHEMBL571909 0.80 DPP4 (0.53) DPP4DPP7DPP8
SCHEMBL29619671 0.80 DPP4 (0.53) DPP4DPP7DPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170305822-A1 METHOD FOR PREPARING SITAGLIPTIN INTERMEDIATE VIA ASYMMETRICAL REDUCTION METHOD ZHEJIANG HUAHAI PHARMACEUTICAL CO., LTD. (CN) 2017-10-26 US disclosed
EP-3156391-A1 METHOD FOR PREPARING SITAGLIPTIN INTERMEDIATE VIA ASYMMETRICAL REDUCTION METHOD Zhejiang Huahai Pharmaceutical Co., Ltd (CN) 2017-04-19 EP 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-20170305822-A1 METHOD FOR PREPARING SITAGLIPTIN INTERMEDIATE VIA ASYMMETRICAL REDUCTION METHOD DPP4, DPP7, SI DPP4 1/4885DPP7 2/4885DPP8 7/4885

“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.