SCHEMBL5926864

SCHEMBL5926864

O=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1cc(Cl)ccc1N(CCCc1ccccc1)S(=O)(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADAMTS5 Q9UNA0 3/20 0.52
▸ MMP2 P08253 5/20 0.48
▸ ITGB1 P05556 6/20 0.47
▸ ITGA4 P13612 6/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ ITGB7 P26010 4/20 0.46
▸ CA2 P00918 1/20 0.45
▸ ERAP1 Q9NZ08 2/20 0.44
▸ GPR34 Q9UPC5 1/20 0.43
▸ MMP9 P14780 3/20 0.43
▸ PYGL P06737 1/20 0.43
▸ ADAMTS4 O75173 1/20 0.43

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 0.88 ITGB1 (0.51) ADAMTS5MMP2ITGB1ITGA4CA12
SCHEMBL5926711 0.87 ITGB1 (0.50) ADAMTS5MMP2ITGB1ITGA4CA12
SCHEMBL5926872 0.86 ADAMTS5 (0.44) ADAMTS5
SCHEMBL5926611 0.84 MMP1 (0.51) ADAMTS5MMP2ITGB1ITGA4CA12
SCHEMBL8337901 0.83 ITGB1 (0.47) ADAMTS5MMP2ITGB1ITGA4CA12
SCHEMBL5926499 0.83 ITGB1 (0.47) ADAMTS5MMP2ITGB1ITGA4CA12
SCHEMBL5927336 0.82 ITGB1 (0.47) ITGB1ITGA4ITGB7ERAP1GPR34
SCHEMBL5927175 0.81 ITGB1 (0.47) ADAMTS5MMP2ITGB1ITGA4ITGB7
SCHEMBL5926684 0.81 ITGB1 (0.47) ITGB1ITGA4ITGB7ERAP1GPR34
SCHEMBL8337414 0.80 ITGB1 (0.44) ADAMTS5MMP2ITGB1ITGA4ITGB7

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 ADAMTS5 65/4885MMP2 258/4885ITGB1 240/4885

“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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