SCHEMBL5926475

SCHEMBL5926475

O=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1cc(I)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 1/20 0.53
▸ CCKAR P32238 13/20 0.53
▸ CCKBR P32239 13/20 0.53
▸ ITGB1 P05556 1/20 0.47
▸ ITGA4 P13612 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ MCL1 Q07820 1/20 0.46
▸ PDK1 Q15118 1/20 0.45
▸ PDK2 Q15119 1/20 0.45
▸ PDK3 Q15120 1/20 0.45
▸ PDK4 Q16654 1/20 0.45
▸ HTT P42858 1/20 0.44

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
SCHEMBL5926535 0.92 ACLY (0.50) ACLYCCKARCCKBRMCL1
SCHEMBL8339983 0.91 CCKAR (0.54) CCKARCCKBRITGB1ITGA4CA1
SCHEMBL5926353 0.91 CCKAR (0.54) CCKARCCKBRITGB1ITGA4CA1
SCHEMBL8337571 0.91 ACLY (0.49) ACLYCCKARCCKBRITGB1ITGA4
SCHEMBL6097972 0.90 ACLY (0.53) ACLYCCKARCCKBRITGB1ITGA4
SCHEMBL5927106 0.87 CCKAR (0.53) ACLYCCKARCCKBRITGB1ITGA4
SCHEMBL5926476 0.85 ACLY (0.52) ACLYCCKARCCKBRMCL1
SCHEMBL8337865 0.84 CCKAR (0.51) CCKARCCKBRITGB1ITGA4
SCHEMBL8340240 0.83 KCNA5 (0.60) CCKARCCKBRITGB1ITGA4
SCHEMBL5926755 0.83 KCNA5 (0.60) CCKARCCKBRITGB1ITGA4

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 3 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
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 (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 ACLY 3952/4885CCKAR 514/4885CCKBR 692/4885

“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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