SCHEMBL5926657

SCHEMBL5926657

O=C(N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1cc(Cl)ccc1NC(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ERAP1 Q9NZ08 2/20 0.48
▸ ITGB1 P05556 5/20 0.48
▸ ITGA4 P13612 5/20 0.48
▸ ITGB7 P26010 4/20 0.48
▸ GPR34 Q9UPC5 3/20 0.48
▸ NHERF1 O14745 1/20 0.48
▸ PYGL P06737 1/20 0.47
▸ PDK1 Q15118 1/20 0.47
▸ PDK2 Q15119 1/20 0.47
▸ PDK3 Q15120 1/20 0.47
▸ PDK4 Q16654 1/20 0.47
▸ MME P08473 4/20 0.46
▸ ACE2 Q9BYF1 4/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ ACE P12821 3/20 0.46
▸ CPA1 P15085 3/20 0.46

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
SCHEMBL5926492 0.85 ACP3 (0.46) ERAP1ITGB1ITGA4ITGB7GPR34
SCHEMBL5926663 0.84 CTSA (0.53) MEN1KMT2A
SCHEMBL5927209 0.82 ITGB1 (0.55) ITGB1ITGA4ITGB7GPR34NHERF1
SCHEMBL5926755 0.81 KCNA5 (0.60) ITGB1ITGA4
SCHEMBL8340240 0.81 KCNA5 (0.60) ITGB1ITGA4
SCHEMBL5926681 0.81 ERAP1 (0.53) ERAP1ITGB1ITGA4ITGB7GPR34
SCHEMBL5927082 0.81 ITGB1 (0.50) ERAP1ITGB1ITGA4ITGB7GPR34
SCHEMBL5926666 0.78 ITGB1 (0.54) ERAP1ITGB1ITGA4ITGB7GPR34
SCHEMBL5926995 0.78 PSMB5 (0.62) ERAP1ITGB1ITGA4ITGB7GPR34
SCHEMBL8337957 0.78 ITGB1 (0.54) ERAP1ITGB1ITGA4ITGB7GPR34

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 1 patent. 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

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 ERAP1 2812/4885ITGB1 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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