SCHEMBL16990606

SCHEMBL16990606

CC(C)NS(=O)(=O)c1cccc(NC(=O)NCc2ccc(Oc3ccnc(C(=O)O)c3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 7/20 0.49
ITGB3 P05106 1/20 0.45
ITGAV P06756 1/20 0.45
ALDH1A1 P00352 2/20 0.44
KDR P35968 2/20 0.44
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
PLK4 O00444 1/20 0.42
AURKA O14965 1/20 0.42
MAPK13 O15264 1/20 0.42
JAK2 O60674 1/20 0.42
MAP4K4 O95819 1/20 0.42
ABL1 P00519 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
LYN P07948 1/20 0.42
RET P07949 1/20 0.42
ROS1 P08922 1/20 0.42
SRC P12931 1/20 0.42
RPS6KB1 P23443 1/20 0.42

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
SCHEMBL171400 0.92 KDR (0.52) NAMPTKDRPLK4AURKAMAPK13
SCHEMBL15574271 0.89 NAMPT (0.48) NAMPTKDRNPC1RAB9APLK4
SCHEMBL16990729 0.87 CA2 (0.52) NAMPTALDH1A1KDR
SCHEMBL15574560 0.82 NPC1 (0.58) NAMPTKDRNPC1RAB9APLK4
SCHEMBL15574632 0.81 CSF1R (0.51) NAMPTALDH1A1KDRNPC1RAB9A
SCHEMBL15573040 0.80 KDR (0.56) KDRPLK4AURKAMAPK13JAK2
SCHEMBL171153 0.79 KDR (0.55) ALDH1A1KDRPLK4AURKAMAPK13
SCHEMBL15574258 0.78 NAMPT (0.59) NAMPTKDRNPC1RAB9A
SCHEMBL16990723 0.78 DDR2 (0.51) NAMPTKDRNPC1RAB9A
SCHEMBL16990674 0.77 KDR (0.47) NAMPTKDRNPC1RAB9AMAPK14

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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2015-08-13 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-20150225369-A1 DDR2 INHIBITORS FOR THE TREATMENT OF OSTEOARTHRITIS DDR2, DDR1, DDRGK1 NAMPT 2021/4885ITGB3 69/4885ITGAV 54/4885

“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.