SCHEMBL5926580

SCHEMBL5926580

O=C(O)CC(NC(=O)c1cc(I)ccc1NS(=O)(=O)c1ccc(F)cc1F)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 4/20 0.47
▸ CTSA P10619 5/20 0.44
▸ KDM4E B2RXH2 1/20 0.42
▸ ACLY P53396 3/20 0.41
▸ DCAF1 Q9Y4B6 2/20 0.40
▸ CYP26A1 O43174 2/20 0.40
▸ EEF2K O00418 1/20 0.38
▸ PRNP P04156 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RXFP1 Q9HBX9 1/20 0.38
▸ MMP12 P39900 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
SCHEMBL5926574 0.85 CCKAR (0.49) KCNA5KDM4E
SCHEMBL5926355 0.84 CTSA (0.46) KCNA5CTSAACLYCYP26A1MMP12
SCHEMBL5926476 0.83 ACLY (0.52) KCNA5CTSAACLYCYP26A1
SCHEMBL5926378 0.81 KCNA5 (0.47) KCNA5CTSA
SCHEMBL5926687 0.81 KCNA5 (0.49) KCNA5ACLYCYP26A1EEF2K
SCHEMBL5927111 0.80 ACLY (0.52) KCNA5CTSAACLYCYP26A1
SCHEMBL8337865 0.80 CCKAR (0.51) KCNA5
SCHEMBL6098358 0.79 METAP2 (0.49) KCNA5CTSA
SCHEMBL5926310 0.79 METAP2 (0.49) KCNA5CTSA
SCHEMBL5926538 0.76 ACLY (0.50) KCNA5ACLY

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-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. 2006-12-07 — — US disclosed
US-7122580-B2 Aryl and heteroaryl compounds and methods to modulate coagulation TRANSTECH PHARMA, INC. (US) 2006-10-17 — — 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 KCNA5 1021/4885CTSA 426/4885KDM4E 1333/4885

“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.

Send feedback