SCHEMBL3949985

SCHEMBL3949985

CN(CC1COCCO1)S(=O)(=O)NC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 4/20 0.37
AURKA O14965 1/20 0.37
JAK2 O60674 1/20 0.37
ABL1 P00519 1/20 0.37
NTRK1 P04629 1/20 0.37
RET P07949 1/20 0.37
CYP3A4 P08684 1/20 0.37
PDGFRB P09619 1/20 0.37
FGFR1 P11362 1/20 0.37
CYP2C9 P11712 1/20 0.37
NQO2 P16083 1/20 0.37
FLT1 P17948 1/20 0.37
FGFR2 P21802 1/20 0.37
FGFR3 P22607 1/20 0.37
FECH P22830 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
FLT3 P36888 1/20 0.37
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37

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
SCHEMBL3951775 1.00 MET (0.37) METAURKAJAK2ABL1NTRK1
SCHEMBL1270741 0.78 PSEN1 (0.36) METAURKAJAK2ABL1NTRK1
SCHEMBL1270429 0.78 PSEN1 (0.36) METAURKAJAK2ABL1NTRK1
SCHEMBL15948910 0.77 CHRM2 (0.46) METAURKAJAK2ABL1NTRK1
SCHEMBL2447306 0.75 CA2 (0.46) METAURKAJAK2ABL1NTRK1
SCHEMBL1270845 0.75 CA2 (0.46) METAURKAJAK2ABL1NTRK1
Trifluoroacetic Acid SCHEMBL1270844 0.74 PSEN1 (0.42) METAURKAJAK2ABL1NTRK1
SCHEMBL3949962 0.73 CHRM2 (0.42) METPSEN1PSEN2APH1BNCSTN
SCHEMBL3950824 0.73 CHRM2 (0.42) METPSEN1PSEN2APH1BNCSTN
SCHEMBL3949126 0.73 CHRM2 (0.42) METPSEN1PSEN2APH1BNCSTN

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-8207186-B2 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase MET MERCK SHARP & DOHME CORP. (US) 2012-06-26 US disclosed
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MERCK SHARP & DOHME LLC 2009-08-06 US disclosed
US-20090182002-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2009-07-16 US disclosed
US-7550478-B2 Tyrosine kinase inhibitors MERCK & CO. INC. (US) 2009-06-23 US disclosed
US-20060293358-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2006-12-28 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 (3 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-20090182002-A1 Tyrosine kinase inhibitors JAK1, JAK2, LCK MET 19/4885AURKA 1020/4885JAK2 2/4885
US-20060293358-A1 Tyrosine kinase inhibitors ABL1, ERBB2, RET MET 4/4885AURKA 464/4885JAK2 12/4885
US-20090197908-A1 Benzocycloheptapyridines as inhibitors of the receptor tyrosine kinase met MET, RET, ERBB2 MET 1/4885AURKA 832/4885JAK2 18/4885

“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.