SCHEMBL21169834

SCHEMBL21169834

CC(C)NC(=O)C[C@H](N)Cc1ccc(C#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.50
CTSC P53634 8/20 0.44
KCNH2 Q12809 4/20 0.44
FAP Q12884 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
DPP9 Q86TI2 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ACACB O00763 3/20 0.41
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.40
EPHX1 P07099 1/20 0.40
XDH P47989 1/20 0.40
NLRP3 Q96P20 1/20 0.39
MAOB P27338 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39

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
Hydrochloric Acid SCHEMBL21144869 0.99 DPP4 (0.49) DPP4CTSCKCNH2FAPDPP8
Hydrochloric Acid SCHEMBL21144868 0.99 DPP4 (0.49) DPP4CTSCKCNH2FAPDPP8
SCHEMBL21628944 0.86 DPP4 (0.52) DPP4CTSCKCNH2FAPDPP8
SCHEMBL18920628 0.86 DPP4 (0.52) DPP4CTSCKCNH2FAPDPP8
Hydrochloric Acid SCHEMBL21144924 0.84 DPP4 (0.51) DPP4CTSCKCNH2FAPDPP8
Hydrochloric Acid SCHEMBL21144921 0.84 DPP4 (0.51) DPP4CTSCKCNH2FAPDPP8
SCHEMBL21144923 0.81 MME (0.45) CTSCKCNH2MEN1KMT2AACACB
SCHEMBL21144925 0.81 MME (0.45) CTSCKCNH2MEN1KMT2AACACB
SCHEMBL21169928 0.80 DPP4 (0.52) DPP4CTSCKCNH2FAPDPP8
SCHEMBL21144806 0.80 DPP4 (0.49) DPP4CTSCKCNH2FAPDPP8

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-10654818-B2 Furane derivatives as inhibitors of ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2020-05-19 US disclosed
EP-3383865-B1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 Bayer Pharma AG (DE) 2020-01-29 EP disclosed
US-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-07-18 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-20190218196-A1 FURANE DERIVATIVES AS INHIBITORS OF ATAD2 ATAD2, ATAD2B, TAF1L DPP4 3896/4885CTSC 3793/4885KCNH2 2927/4885
US-10654818-B2 Furane derivatives as inhibitors of ATAD2 ATAD2, ATAD2B, TAF1L DPP4 3896/4885CTSC 3793/4885KCNH2 2927/4885

“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.