SCHEMBL6833697

SCHEMBL6833697

Cc1sc(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc1S(=O)(=O)N1CC(C)OC(C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.48
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.38
HTT P42858 1/20 0.38
MAPT P10636 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
NPC1 O15118 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
ACLY P53396 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
SCHEMBL6834212 0.90 ALB (0.47) ALBKMT2AMEN1ALDH1A1HTT
SCHEMBL6817870 0.87 ALB (0.51) ALBKMT2AMEN1ALDH1A1HTT
SCHEMBL6932502 0.87 ALB (0.54) ALBKMT2AMEN1ALDH1A1MAPT
SCHEMBL6835846 0.86 ALB (0.66) ALBKMT2AMEN1ALDH1A1HTT
SCHEMBL6930797 0.86 ALB (0.53) ALBKMT2AMEN1ALDH1A1MAPT
SCHEMBL6833363 0.86 ALB (0.46) ALBKMT2AMEN1ALDH1A1HTT
SCHEMBL6814358 0.85 ALB (0.51) ALBKMT2AMEN1ALDH1A1MAPT
SCHEMBL6830277 0.82 ALB (0.45) ALBKMT2AMEN1ALDH1A1HTT
SCHEMBL6818779 0.82 ALB (0.51) ALBKMT2AMEN1ALDH1A1HTT
SCHEMBL7064764 0.82 ALB (0.46) ALBKMT2AMEN1ALDH1A1HTT

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 2 patents. 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
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 ALB 1417/4885KMT2A 2853/4885MEN1 4132/4885

“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.