SCHEMBL5927464

SCHEMBL5927464

O=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1cc(Cl)ccc1N(Cc1ccc(-c2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 6/20 0.49
▸ ITGA4 P13612 6/20 0.49
▸ ITGB7 P26010 4/20 0.49
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ ERAP1 Q9NZ08 2/20 0.43
▸ ADAMTS5 Q9UNA0 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ CCKAR P32238 5/20 0.42
▸ CCKBR P32239 5/20 0.42
▸ GPR34 Q9UPC5 1/20 0.42
▸ NHERF1 O14745 1/20 0.42

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
SCHEMBL5926531 0.90 ITGB1 (0.51) ITGB1ITGA4ITGB7CA1CA2
SCHEMBL5927468 0.87 CTSA (0.45) —
SCHEMBL5926611 0.86 MMP1 (0.51) ITGB1ITGA4ITGB7CA1CA2
SCHEMBL5926499 0.85 ITGB1 (0.47) ITGB1ITGA4ITGB7CA1CA2
SCHEMBL8337901 0.85 ITGB1 (0.47) ITGB1ITGA4ITGB7CA1CA2
SCHEMBL5926666 0.82 ITGB1 (0.54) ITGB1ITGA4ITGB7ERAP1PTPN1
SCHEMBL8337957 0.82 ITGB1 (0.54) ITGB1ITGA4ITGB7ERAP1PTPN1
SCHEMBL8337414 0.81 ITGB1 (0.44) ITGB1ITGA4ITGB7CA2ADAMTS5
SCHEMBL5926711 0.81 ITGB1 (0.50) ITGB1ITGA4ITGB7CA1CA2
SCHEMBL5927188 0.81 ITGB1 (0.52) ITGB1ITGA4ITGB7ERAP1PTPN1

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 ITGB1 240/4885ITGA4 312/4885ITGB7 762/4885

“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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