SCHEMBL5926865

SCHEMBL5926865

O=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1cc(Br)ccc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACLY P53396 1/20 0.52
▸ CCKAR P32238 7/20 0.51
▸ CCKBR P32239 7/20 0.51
▸ MMP2 P08253 2/20 0.49
▸ MMP1 P03956 1/20 0.49
▸ MMP3 P08254 1/20 0.49
▸ MMP7 P09237 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ ITGB1 P05556 5/20 0.48
▸ ITGA4 P13612 5/20 0.48
▸ MCL1 Q07820 1/20 0.47
▸ METAP2 P50579 1/20 0.46
▸ ITGB2 P05107 1/20 0.46
▸ ICAM1 P05362 1/20 0.46
▸ ITGAL P20701 1/20 0.46
▸ SLC10A2 Q12908 1/20 0.46
▸ SLC10A1 Q14973 1/20 0.46
▸ SLC10A6 Q3KNW5 1/20 0.46
▸ PTGES2 Q9H7Z7 1/20 0.45

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
SCHEMBL5927388 0.91 MMP2 (0.60) CCKARCCKBRMMP2MMP1MMP3
SCHEMBL5927106 0.89 CCKAR (0.53) ACLYCCKARCCKBRMMP2MMP9
SCHEMBL5926727 0.88 MMP2 (0.52) CCKARCCKBRMMP2MMP1MMP3
SCHEMBL6097972 0.87 ACLY (0.53) ACLYCCKARCCKBRITGB1ITGA4
SCHEMBL5927300 0.85 ITGB3 (0.49) ACLYCCKARCCKBRMMP2MMP1
SCHEMBL4000600 0.85 ALDH1A1 (0.53) CCKARCCKBRMMP2MMP1MMP3
SCHEMBL5926802 0.85 CA2 (0.52) CCKARCCKBRMMP2MMP1MMP3
SCHEMBL3980299 0.85 ALDH1A1 (0.53) CCKARCCKBRMMP2MMP1MMP3
SCHEMBL5926870 0.85 ACLY (0.52) ACLYMETAP2SLC10A2SLC10A1SLC10A6
SCHEMBL5926768 0.85 MMP2 (0.51) CCKARCCKBRMMP2MMP1MMP3

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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