SCHEMBL6833331

SCHEMBL6833331

CCCCCC(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3C(=O)O)[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
CDC25B P30305 1/20 0.44
PTPN11 Q06124 1/20 0.44
POLB P06746 1/20 0.44
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
TSHR P16473 1/20 0.41
GSK3B P49841 1/20 0.41
PLK1 P53350 8/20 0.40
PLK3 Q9H4B4 2/20 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
SCHEMBL6834575 0.99 PTPN2 (0.46) PTPN2PTPN1PTPN6CDC25BPTPN11
SCHEMBL6834131 0.99 PTPN2 (0.46) PTPN2PTPN1PTPN6CDC25BPTPN11
SCHEMBL6835693 0.97 POLB (0.47) PTPN2PTPN1PTPN6CDC25BPTPN11
SCHEMBL6833910 0.94 KDM4E (0.45) PTPN2PTPN1PTPN6CDC25BPTPN11
SCHEMBL6834088 0.91 HDAC3 (0.46) PTPN2PTPN1PTPN6CDC25BPTPN11
SCHEMBL6830151 0.90 ALB (0.42) POLB
SCHEMBL6834218 0.90 HDAC3 (0.42) POLBHDAC3HDAC1
SCHEMBL6834149 0.90 HCAR2 (0.48) HDAC3HDAC1PLK1PLK3
SCHEMBL6834150 0.89 HCAR2 (0.44) HDAC3HDAC1
SCHEMBL6833287 0.87 PLK1 (0.55) POLBPLK1PLK3

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 claimed
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 PTPN2 3592/4885PTPN1 3166/4885PTPN6 2916/4885

“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.