SCHEMBL6830643

SCHEMBL6830643

CC(C)(C)OC(=O)c1cc(C#N)ccc1NC(=O)c1noc2ccc(S(=O)(=O)Cl)cc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.36
HIF1A Q16665 6/20 0.35
DDR1 Q08345 1/20 0.34
PDE10A Q9Y233 2/20 0.33
GPR6 P46095 2/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
F10 P00742 1/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31

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
SCHEMBL6830645 0.87 ALB (0.48) ALBHIF1AFLT1FLT4KDR
SCHEMBL6818693 0.86 ALB (0.36) ALBDDR1PDE10AGPR6F10
SCHEMBL6822117 0.86 HIF1A (0.37) ALBHIF1APDE10AGPR6TP53
SCHEMBL6815114 0.86 HIF1A (0.37) HIF1APDE10AGPR6MAPTGAA
SCHEMBL6833171 0.84 HIF1A (0.37) ALBHIF1ATP53MAPTTSHR
SCHEMBL6833230 0.81 HIF1A (0.37) HIF1APDE10AGPR6TP53POLB
SCHEMBL7069805 0.80 HIF1A (0.38) HIF1APDE10AMAPTGAATSHR
SCHEMBL6830574 0.80 HIF1A (0.44) HIF1ATP53POLBMAPTALDH1A1
SCHEMBL6919933 0.79 ALB (0.37) ALBHIF1APDE10AGPR6POLB
SCHEMBL6835780 0.79 HIF1A (0.35) HIF1APDE10AGPR6TP53POLB

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-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ALB 1417/4885HIF1A 220/4885DDR1 3065/4885

“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.