SCHEMBL5927111

SCHEMBL5927111

O=C(O)CC(NC(=O)c1cc(I)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 2/20 0.52
▸ KCNA5 P22460 8/20 0.48
▸ CTSA P10619 3/20 0.48
▸ PTGES2 Q9H7Z7 2/20 0.43
▸ CYP26A1 O43174 2/20 0.43
▸ CCKAR P32238 1/20 0.40
▸ CCKBR P32239 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL5926870 0.90 ACLY (0.52) ACLYKCNA5CTSAPTGES2CYP26A1
SCHEMBL5926355 0.89 CTSA (0.46) ACLYKCNA5CTSACYP26A1CCKAR
SCHEMBL5926378 0.88 KCNA5 (0.47) KCNA5CTSA
SCHEMBL5926476 0.87 ACLY (0.52) ACLYKCNA5CTSACYP26A1CCKAR
SCHEMBL5926687 0.85 KCNA5 (0.49) ACLYKCNA5CYP26A1
SCHEMBL5927106 0.85 CCKAR (0.53) ACLYKCNA5CCKARCCKBR
SCHEMBL5926310 0.84 METAP2 (0.49) KCNA5CTSA
SCHEMBL6098358 0.84 METAP2 (0.49) KCNA5CTSA
SCHEMBL5926580 0.80 KCNA5 (0.47) ACLYKCNA5CTSACYP26A1
SCHEMBL5927453 0.80 KCNA5 (0.51) KCNA5MEN1LMNAKMT2A

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 5 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
EP-1546089-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TransTech Pharma Inc. (US) 2005-06-29 — — EP disclosed
US-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TRANSTECH PHARMA, LLC 2004-06-10 — — US disclosed
WO-2004014844-A2 ARYL AND HETEROARYL COMPOUNDS AND METHODS TO MODULATE COAGULATION TRANSTECH PHARMA, INC. (US) 2004-02-19 — — 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-20040110832-A1 management, treatment and/or control of diseases caused in intrinsic clotting pathway utilizing factor IX such as stroke, myocardial infarction, aneurysm surgery, and deep vein thrombosis associated with surgical procedures etc TFPI, F9, TFPI2 ACLY 2345/4885KCNA5 442/4885CTSA 638/4885
US-20060276518-A1 Aryl and heteroaryl compounds and methods to modulate coagulation TFPI, F9, F2 ACLY 3952/4885KCNA5 1021/4885CTSA 426/4885

“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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