SCHEMBL5926378

SCHEMBL5926378

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 8/20 0.47
▸ MMP2 P08253 2/20 0.43
▸ MMP1 P03956 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ MMP7 P09237 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP13 P45452 1/20 0.43
▸ KDM1A O60341 1/20 0.43
▸ MCL1 Q07820 2/20 0.42
▸ BCL2A1 Q16548 2/20 0.42
▸ CTSA P10619 2/20 0.41

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
SCHEMBL5927393 0.93 KCNA5 (0.50) KCNA5MMP2MMP1MMP3MMP7
SCHEMBL5927453 0.92 KCNA5 (0.51) KCNA5MMP2MMP1MMP3MMP7
SCHEMBL5926687 0.89 KCNA5 (0.49) KCNA5MCL1BCL2A1
SCHEMBL5926310 0.88 METAP2 (0.49) KCNA5MCL1BCL2A1CTSA
SCHEMBL6098358 0.88 METAP2 (0.49) KCNA5MCL1BCL2A1CTSA
SCHEMBL5927111 0.88 ACLY (0.52) KCNA5CTSA
SCHEMBL5926732 0.87 KCNA5 (0.51) KCNA5KDM1AMCL1CTSA
SCHEMBL5926772 0.85 KCNA5 (0.45) KCNA5MMP2MMP1MMP3MMP7
SCHEMBL5926806 0.85 KCNA5 (0.45) KCNA5KDM1AMCL1BCL2A1CTSA
SCHEMBL4000601 0.85 KDM1A (0.52) KCNA5KDM1A

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 1021/4885MMP2 258/4885MMP1 1336/4885

“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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