SCHEMBL5926536

SCHEMBL5926536

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.52
▸ ITGB1 P05556 5/20 0.50
▸ ITGA4 P13612 5/20 0.50
▸ ITGB7 P26010 4/20 0.50
▸ ERAP1 Q9NZ08 2/20 0.46
▸ GPR34 Q9UPC5 3/20 0.46
▸ NHERF1 O14745 1/20 0.46
▸ PYGL P06737 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ PDK1 Q15118 1/20 0.45
▸ PDK2 Q15119 1/20 0.45
▸ PDK3 Q15120 1/20 0.45
▸ PDK4 Q16654 1/20 0.45
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ MME P08473 1/20 0.43
▸ ACE P12821 1/20 0.43
▸ CPA1 P15085 1/20 0.43
▸ ACE2 Q9BYF1 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
SCHEMBL5926672 0.95 ITGB1 (0.49) PTPN1ITGB1ITGA4ITGB7ERAP1
SCHEMBL5926430 0.94 ITGB1 (0.48) PTPN1ITGB1ITGA4ITGB7ERAP1
SCHEMBL5927518 0.91 ITGB1 (0.45) PTPN1ITGB1ITGA4ITGB7ERAP1
SCHEMBL5927188 0.91 ITGB1 (0.52) PTPN1ITGB1ITGA4ITGB7ERAP1
SCHEMBL5926620 0.90 ITGB1 (0.47) PTPN1ITGB1ITGA4ITGB7ERAP1
SCHEMBL5927336 0.88 ITGB1 (0.47) PTPN1ITGB1ITGA4ITGB7ERAP1
SCHEMBL8337957 0.86 ITGB1 (0.54) PTPN1ITGB1ITGA4ITGB7ERAP1
SCHEMBL5926666 0.86 ITGB1 (0.54) PTPN1ITGB1ITGA4ITGB7ERAP1
SCHEMBL5926540 0.85 CTSA (0.47) —
SCHEMBL5926437 0.82 CYP26A1 (0.47) —

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 PTPN1 2517/4885ITGB1 240/4885ITGA4 312/4885

“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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