SCHEMBL6709243

SCHEMBL6709243

COCCOCCOCC([NH])=O

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
AKT1 P31749 1/20 0.32
NAMPT P43490 1/20 0.32
ABCB11 O95342 1/20 0.31
CYP3A4 P08684 1/20 0.31
ADRA2B P18089 1/20 0.31
OPRD1 P41143 1/20 0.31
SCN5A Q14524 1/20 0.31
EPHX2 P34913 2/20 0.30
CES2 O00748 1/20 0.30

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
SCHEMBL1554150 0.98
SCHEMBL7069886 0.86 CTNNB1 (0.32) TSHRALDH1A1
SCHEMBL9650562 0.81 ALDH1A1 (0.37) CA2TSHRALDH1A1ABCB11CYP3A4
SCHEMBL7043209 0.80 CA2 (0.38) CA2TSHRALDH1A1AKT1NAMPT
SCHEMBL3542040 0.78 ALDH1A1 (0.43) CA2TSHRALDH1A1NAMPTABCB11
SCHEMBL18244613 0.78 ALDH1A1 (0.43) CA2TSHRALDH1A1NAMPTABCB11
SCHEMBL2603682 0.78 CES2 (0.50) CA2TSHRALDH1A1NAMPTABCB11
SCHEMBL10019282 0.78 ALDH1A1 (0.43) CA2TSHRALDH1A1NAMPTABCB11
SCHEMBL102373 0.78 ALDH1A1 (0.43) CA2TSHRALDH1A1NAMPTABCB11
SCHEMBL11421530 0.78 ALDH1A1 (0.50) TSHRALDH1A1EPHX2CES2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 US claimed
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US claimed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed
EP-1060161-B1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMA AS WITH SECONDARY N (DK) 2003-06-11 EP disclosed
US-6277876-B1 Matrix metalloproteinase inhibitors LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 2001-08-21 US disclosed
EP-1060161-A1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 2000-12-20 EP disclosed
WO-1999044989-A1 MATRIX METALLOPROTEINASE INHIBITORS LEO PHARMACEUTICAL PRODUCTS LTD. A/S (DK) 1999-09-10 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 (2 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 CA2 2568/4885TSHR 3901/4885ALDH1A1 123/4885
US-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 CA2 2212/4885TSHR 3622/4885ALDH1A1 170/4885

“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.