SCHEMBL19845903

SCHEMBL19845903

CC(C)NC(=O)[C@H](N)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.41
▸ MLYCD O95822 1/20 0.36
▸ CA12 O43570 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ FAP Q12884 1/20 0.32
▸ DPP8 Q6V1X1 1/20 0.32
▸ DPP9 Q86TI2 1/20 0.32
▸ DPP7 Q9UHL4 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ PRCP P42785 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
SCHEMBL19000008 1.00 DPP4 (0.41) DPP4MLYCDCA12CA1CA2
SCHEMBL19000043 1.00 DPP4 (0.41) DPP4MLYCDCA12CA1CA2
SCHEMBL19009028 0.83 DPP8 (0.36) DPP4DPP8DPP9DPP7
SCHEMBL4127016 0.79 DPP4 (0.62) DPP4CA12CA1CA2MMP1
SCHEMBL21661368 0.77 DPP4 (0.46) DPP4CA12CA1CA2MMP1
SCHEMBL19009024 0.76 MAPT (0.31) DPP4ALDH1A1
SCHEMBL20907635 0.76 MLYCD (0.38) MLYCDCA12CA1CA2MMP1
SCHEMBL21149312 0.76 MLYCD (0.38) MLYCDCA12CA1CA2MMP1
SCHEMBL17617087 0.76 MAPT (0.31) DPP4ALDH1A1
SCHEMBL26319463 0.76 MLYCD (0.38) MLYCDCA12CA1CA2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947214-B2 TLR7/8 antagonists and uses thereof MERCK PATENT GMBH (DE) 2021-03-16 — — US disclosed
US-20210002256-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-01-07 — — US disclosed
US-20210002255-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-01-07 — — US disclosed
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2020-10-08 — — US disclosed
US-20180037570-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-02-08 — — US disclosed
US-20180037570-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-02-08 — — 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 (5 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-20210002256-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 DPP4 1505/4885MLYCD 4323/4885CA12 4808/4885
US-20200316051-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 DPP4 2080/4885MLYCD 4386/4885CA12 3624/4885
US-20180037570-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 DPP4 1220/4885MLYCD 4189/4885CA12 4689/4885
US-10947214-B2 TLR7/8 antagonists and uses thereof TLR7, TLR8, TLR9 DPP4 1220/4885MLYCD 4189/4885CA12 4689/4885
US-20210002255-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 DPP4 1306/4885MLYCD 4060/4885CA12 4676/4885

“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.

Send feedback