SCHEMBL5926355

SCHEMBL5926355

O=C(O)CC(NC(=O)c1cc(I)ccc1NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSA P10619 4/20 0.46
▸ KCNA5 P22460 5/20 0.43
▸ CYP26A1 O43174 6/20 0.41
▸ CCKAR P32238 1/20 0.41
▸ CCKBR P32239 1/20 0.41
▸ ACLY P53396 3/20 0.41
▸ MMP3 P08254 1/20 0.38
▸ MMP9 P14780 1/20 0.38
▸ MMP8 P22894 1/20 0.38
▸ MMP12 P39900 1/20 0.38
▸ MMP13 P45452 1/20 0.38

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
SCHEMBL5926476 0.91 ACLY (0.52) CTSAKCNA5CYP26A1CCKARCCKBR
SCHEMBL5927111 0.89 ACLY (0.52) CTSAKCNA5CYP26A1CCKARCCKBR
SCHEMBL8339983 0.85 CCKAR (0.54) CCKARCCKBR
SCHEMBL5926353 0.85 CCKAR (0.54) CCKARCCKBR
SCHEMBL5926580 0.84 KCNA5 (0.47) CTSAKCNA5CYP26A1ACLYMMP12
SCHEMBL5926538 0.84 ACLY (0.50) KCNA5ACLY
SCHEMBL5926378 0.83 KCNA5 (0.47) CTSAKCNA5MMP3MMP9MMP13
SCHEMBL5926687 0.82 KCNA5 (0.49) KCNA5CYP26A1ACLY
SCHEMBL5926310 0.80 METAP2 (0.49) CTSAKCNA5
SCHEMBL6098358 0.80 METAP2 (0.49) CTSAKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 — — 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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 CTSA 426/4885KCNA5 1021/4885CYP26A1 526/4885

“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.

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