SCHEMBL4581084

SCHEMBL4581084

CS(=O)(=O)c1cccc(-c2ccc(C(N)=O)cc2F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAMKK2 Q96RR4 2/20 0.48
NTRK1 P04629 1/20 0.44
MET P08581 1/20 0.44
PIM1 P11309 1/20 0.44
FGFR1 P11362 1/20 0.44
MAP2K2 P36507 1/20 0.44
FLT3 P36888 1/20 0.44
MAPK8 P45983 1/20 0.44
GSK3B P49841 1/20 0.44
NTRK3 Q16288 1/20 0.44
ALK Q9UM73 1/20 0.44
DYRK1B Q9Y463 1/20 0.44
SLC6A9 P48067 2/20 0.43
FAAH O00519 1/20 0.43
PTGS2 P35354 2/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
MAP4K4 O95819 1/20 0.41
HSD17B1 P14061 1/20 0.41
HSD17B2 P37059 1/20 0.41

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
SCHEMBL3655412 0.81 CAMKK2 (0.55) CAMKK2FLT3PTGS2VNN1PARP1
SCHEMBL4582007 0.79 CAMKK2 (0.47) CAMKK2NTRK1METPIM1FGFR1
SCHEMBL1788340 0.79 PARP1 (0.56) HSD17B1HSD17B2PARP1ARAKR1C3
SCHEMBL28218967 0.78 PTGS1 (0.51) PTGS2PARP1AKR1C3AKR1C2
SCHEMBL1397448 0.77 GAA (0.55) VNN1PARP1AKR1C3
SCHEMBL29503163 0.77 GAA (0.55) VNN1PARP1AKR1C3
SCHEMBL28022700 0.76 PTGS2 (0.51) FAAHPTGS2NR1H2NR1H3PARP1
SCHEMBL16400660 0.73 PARP1 (0.56) FAAHHSD17B1HSD17B2PARP1AKR1C3
SCHEMBL30604310 0.73 HSD17B1 (0.47) FAAHPTGS2NR1H2NR1H3HSD17B1
SCHEMBL31069200 0.72 SLC22A12 (0.44) PIM1FGFR1MAPK8GSK3BPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US claimed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
US-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives SERENEX, INC. 2008-03-27 US disclosed
WO-2008024963-A1 BENZENE, PYRIDINE, AND PYRIDAZINE DERIVATIVES SERENEX, INC. (US) 2008-02-28 WO 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-20080076800-A1 Benzene, Pyridine, and Pyridazine Derivatives RB1, MKI67, CCNB1 CAMKK2 4449/4885NTRK1 1902/4885MET 2477/4885

“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.