SCHEMBL19660299

SCHEMBL19660299

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.39
DPP8 Q6V1X1 8/20 0.39
DPP9 Q86TI2 7/20 0.39
TSHR P16473 2/20 0.37
DPP7 Q9UHL4 7/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33

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
SCHEMBL19660302 1.00 DPP4 (0.39) DPP4DPP8DPP9TSHRDPP7
SCHEMBL7779225 0.80 DPP4 (0.43) DPP4DPP8DPP9TSHRDPP7
SCHEMBL5987142 0.80 TSHR (0.42) DPP4DPP8DPP9TSHRDPP7
SCHEMBL7603101 0.80 TSHR (0.42) DPP4DPP8DPP9TSHRDPP7
SCHEMBL5986125 0.80 TSHR (0.42) DPP4DPP8DPP9TSHRDPP7
SCHEMBL7779224 0.80 DPP4 (0.43) DPP4DPP8DPP9TSHRDPP7
SCHEMBL21105595 0.80 DPP4 (0.43) DPP4DPP8DPP9TSHRDPP7
SCHEMBL17833081 0.79 DPP4 (0.37) DPP4DPP8DPP9DPP7
SCHEMBL17833218 0.79 DPP4 (0.37) DPP4DPP8DPP9DPP7
SCHEMBL17833083 0.79 DPP4 (0.37) DPP4DPP8DPP9DPP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170342064-A1 COMPOUNDS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-30 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-20170342064-A1 COMPOUNDS FOR THE TREATMENT OF CANCER MPST, TK1, BRCA1 DPP4 1353/4885DPP8 1176/4885DPP9 904/4885

“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.