SCHEMBL6819007

SCHEMBL6819007

Cn1c(C(=O)Nc2ccc(C#N)cc2C(=O)O)cc2cccc(-c3ccc(S(C)(=O)=O)cc3)c21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.44
SLC6A9 P48067 1/20 0.36
PPARG P37231 3/20 0.35
PPARD Q03181 3/20 0.35
PPARA Q07869 3/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
PTGS2 P35354 1/20 0.35
F10 P00742 1/20 0.35
FBP1 P09467 1/20 0.34
KAT6A Q92794 2/20 0.34
SERPINE1 P05121 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
SCHEMBL6834598 0.90 SERPINE1 (0.42) ALBSERPINE1KMT2A
SCHEMBL6817919 0.87 NR1H4 (0.44) ALBPPARGPPARASERPINE1KMT2A
SCHEMBL6834424 0.83 ALB (0.43) ALBPPARGPPARDPPARAKMT2A
SCHEMBL6833840 0.83 LMNA (0.42) ALBPPARGPPARDPPARASERPINE1
SCHEMBL6833941 0.83 PTPN11 (0.40) ALBSERPINE1KMT2A
SCHEMBL6710384 0.82 F10 (0.33) SLC6A9SIRT2F10FBP1
SCHEMBL6830752 0.82 ALB (0.40) ALBKAT6ASERPINE1KMT2A
SCHEMBL6833985 0.81 ALB (0.42) ALBKMT2A
SCHEMBL6834074 0.81 ALB (0.44) ALBPPARGPPARDPPARAFBP1
SCHEMBL6818793 0.81 ALB (0.42) ALBPPARGPPARDPPARAFBP1

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 1417/4885SLC6A9 4707/4885PPARG 285/4885

“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.