SCHEMBL6835862

SCHEMBL6835862

CCOC(=O)CCSc1ccc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cn1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.69
KDM4E B2RXH2 3/20 0.46
CXCR1 P25024 3/20 0.46
CXCR2 P25025 3/20 0.46
HTT P42858 1/20 0.46
MAPT P10636 2/20 0.45
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PLK1 P53350 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
BRCA1 P38398 1/20 0.40
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
F10 P00742 1/20 0.39

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
Hydrochloric Acid SCHEMBL6833971 0.87 ALB (0.73) ALBKDM4ECXCR1CXCR2HTT
SCHEMBL6830644 0.86 ALB (0.77) ALBKDM4ECXCR1CXCR2HTT
SCHEMBL6833946 0.85 ALB (0.76) ALBKDM4ECXCR1CXCR2HTT
Hydrochloric Acid SCHEMBL6821748 0.85 ALB (0.70) ALBKDM4ECXCR2HTTKMT2A
SCHEMBL6833308 0.85 ALB (0.75) ALBKDM4ECXCR1CXCR2HTT
SCHEMBL6833865 0.85 ALB (0.75) ALBKDM4ECXCR1CXCR2HTT
SCHEMBL6918954 0.84 ALB (0.72) ALBKDM4ECXCR1CXCR2HTT
SCHEMBL6830362 0.83 ALB (0.76) ALBKDM4ECXCR1CXCR2HTT
SCHEMBL6833784 0.83 ALB (0.75) ALBKDM4ECXCR1CXCR2HTT
SCHEMBL6830537 0.82 ALB (1.00) ALBKDM4ECXCR1CXCR2HTT

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 1417/4885KDM4E 1240/4885CXCR1 3002/4885

“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.