SCHEMBL6835693

SCHEMBL6835693

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
TSHR P16473 1/20 0.43
GSK3B P49841 1/20 0.43
HDAC3 O15379 3/20 0.42
HDAC1 Q13547 3/20 0.42
PTPN2 P17706 1/20 0.41
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
CDC25B P30305 1/20 0.41
PTPN11 Q06124 1/20 0.41
RXFP1 Q9HBX9 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ALB P02768 2/20 0.40
PKM P14618 1/20 0.39
PLK1 P53350 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
SCHEMBL6833331 0.97 PTPN2 (0.44) POLBTSHRGSK3BHDAC3HDAC1
SCHEMBL6834575 0.96 PTPN2 (0.46) POLBTSHRGSK3BHDAC3HDAC1
SCHEMBL6834131 0.96 PTPN2 (0.46) POLBTSHRGSK3BHDAC3HDAC1
SCHEMBL6833910 0.95 KDM4E (0.45) POLBHDAC3HDAC1PTPN2PTPN1
SCHEMBL6830151 0.91 ALB (0.42) POLBRXFP1ALB
SCHEMBL6834218 0.91 HDAC3 (0.42) POLBHDAC3HDAC1RXFP1KDM4E
SCHEMBL6834088 0.90 HDAC3 (0.46) POLBHDAC3HDAC1PTPN2PTPN1
SCHEMBL6834150 0.90 HCAR2 (0.44) HDAC3HDAC1
SCHEMBL6834149 0.89 HCAR2 (0.48) HDAC3HDAC1PLK1
SCHEMBL6833287 0.88 PLK1 (0.55) POLBALBPLK1

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 POLB 637/4885TSHR 3622/4885GSK3B 4268/4885

“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.