SCHEMBL6833913

SCHEMBL6833913

CCCCN(CCO)S(=O)(=O)c1cc(C(=O)Nc2ccc(C#N)cc2C(=O)O)sc1C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.38
PLK1 P53350 8/20 0.35
P4HB P07237 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PLK3 Q9H4B4 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TBXA2R P21731 2/20 0.34
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL6821593 0.93 LMNA (0.39) ALBPLK1LMNASMN1; SMN2POLB
SCHEMBL6835831 0.92 ALB (0.38) ALBPLK1P4HBLMNASMN1; SMN2
SCHEMBL7073951 0.88 TAS2R14 (0.39) ALBLMNAHTTALDH1A1MEN1
SCHEMBL6834042 0.85 LMNA (0.39) ALBLMNASMN1; SMN2POLBMAPT
SCHEMBL6833250 0.84 ALB (0.40) ALBLMNASMN1; SMN2ALDH1A1TBXA2R
SCHEMBL7062917 0.83 P4HB (0.35) P4HBLMNATBXA2R
SCHEMBL6359345 0.81 ALB (0.53) ALBPLK1P4HBLMNASMN1; SMN2
SCHEMBL6833716 0.80 ALB (0.38) ALBALDH1A1MEN1TP53CYP1A2
SCHEMBL6353472 0.79 APEX1 (0.56) ALBP4HBLMNASMN1; SMN2POLB
SCHEMBL6818482 0.78 HTT (0.39) ALBHTTALDH1A1TBXA2RMEN1

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 1417/4885PLK1 4270/4885P4HB 2259/4885

“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.