SCHEMBL5927166

SCHEMBL5927166

O=C(N[C@@H](Cc1ccc(-c2ccc(F)c(Cl)c2)cc1)C(=O)O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 1/20 0.54
▸ PDK2 Q15119 1/20 0.54
▸ PDK3 Q15120 1/20 0.54
▸ PDK4 Q16654 1/20 0.54
▸ KIFC1 Q9BW19 5/20 0.54
▸ ITGB1 P05556 3/20 0.52
▸ ITGA4 P13612 3/20 0.52
▸ MRGPRX4 Q96LA9 1/20 0.52
▸ ECE1 P42892 2/20 0.51
▸ CA2 P00918 3/20 0.50
▸ MCL1 Q07820 1/20 0.49
▸ GPR132 Q9UNW8 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ FPR2 P25090 1/20 0.47
▸ PTPN1 P18031 1/20 0.46
▸ CA1 P00915 1/20 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
SCHEMBL5926920 0.91 PDK1 (0.56) PDK1PDK2PDK3PDK4KIFC1
SCHEMBL3994928 0.91 ITGB1 (0.61) PDK1PDK2PDK3PDK4ITGB1
SCHEMBL4829787 0.89 ITGB1 (0.51) PDK1PDK2PDK3PDK4KIFC1
SCHEMBL3989525 0.89 ITGB1 (0.51) PDK1PDK2PDK3PDK4KIFC1
SCHEMBL6097133 0.89 ITGB1 (0.51) PDK1PDK2PDK3PDK4KIFC1
SCHEMBL3991301 0.89 ITGB1 (0.51) PDK1PDK2PDK3PDK4KIFC1
SCHEMBL5927385 0.89 CA2 (0.62) PDK1PDK2PDK3PDK4KIFC1
SCHEMBL4827755 0.86 KIFC1 (0.51) KIFC1ITGB1ITGA4MRGPRX4ECE1
SCHEMBL4827753 0.86 KIFC1 (0.51) KIFC1ITGB1ITGA4MRGPRX4ECE1
SCHEMBL5926493 0.85 PTPN1 (0.62) PDK1PDK2PDK3PDK4KIFC1

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 PDK1 2955/4885PDK2 2541/4885PDK3 1953/4885

“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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