SCHEMBL19089918

SCHEMBL19089918

CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)NN

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.53
DPP8 Q6V1X1 2/20 0.53
DPP9 Q86TI2 2/20 0.53
DPP7 Q9UHL4 2/20 0.53
FAP Q12884 1/20 0.53
SLC7A5 Q01650 1/20 0.41
HIF1A Q16665 1/20 0.37
CTSC P53634 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
BACE1 P56817 1/20 0.30
LAP3 P28838 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL9651237 0.84
SCHEMBL9651230 0.84
SCHEMBL19503059 0.83 DPP4 (0.53) DPP4DPP8DPP9DPP7FAP
SCHEMBL21614009 0.83 DPP4 (0.53) DPP4DPP8DPP9DPP7FAP
SCHEMBL19522543 0.83 DPP4 (0.53) DPP4DPP8DPP9DPP7FAP
SCHEMBL11100606 0.82 DPP4 (0.50) DPP4DPP8DPP9DPP7FAP
SCHEMBL30457093 0.81 DPP4 (0.52) DPP4DPP8DPP9DPP7FAP
SCHEMBL29871436 0.81 DPP4 (0.52) DPP4DPP8DPP9DPP7FAP
SCHEMBL20834998 0.81 DPP4 (0.52) DPP4DPP8DPP9DPP7FAP
SCHEMBL30463284 0.81 DPP4 (0.52) DPP4DPP8DPP9DPP7FAP

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-10246486-B2 Macrocyclic inhibitors of flaviviridae viruses GILEAD SCIENCES, INC. (US) 2019-04-02 US disclosed
EP-2859009-B1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2017-10-18 EP disclosed
US-20170190737-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES CYPRALIS LIMITED (GB) 2017-07-06 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 (2 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-20170190737-A1 MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES HAVCR2, ZC3HAV1, HCCS DPP4 238/4885DPP8 182/4885DPP9 323/4885
US-10246486-B2 Macrocyclic inhibitors of flaviviridae viruses HAVCR2, ZC3HAV1, HCCS DPP4 238/4885DPP8 182/4885DPP9 323/4885

“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.