SCHEMBL5927209

SCHEMBL5927209

O=C(Nc1ccc(Cl)cc1C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 9/20 0.55
▸ ITGA4 P13612 9/20 0.55
▸ ITGB7 P26010 5/20 0.53
▸ SERPINE1 P05121 1/20 0.51
▸ PSMB5 P28074 1/20 0.51
▸ PDK1 Q15118 1/20 0.51
▸ PDK2 Q15119 1/20 0.51
▸ PDK3 Q15120 1/20 0.51
▸ PDK4 Q16654 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.50
▸ GPR34 Q9UPC5 1/20 0.49
▸ NHERF1 O14745 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ PPARG P37231 1/20 0.49
▸ PPARA Q07869 1/20 0.49
▸ TP53 P04637 1/20 0.48
▸ PYGL P06737 1/20 0.48

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
SCHEMBL5927213 0.82 CTSA (0.52) SERPINE1KDM4ENPSR1RXFP1LMNA
SCHEMBL5926657 0.82 ERAP1 (0.48) ITGB1ITGA4ITGB7PDK1PDK2
SCHEMBL5927188 0.81 ITGB1 (0.52) ITGB1ITGA4ITGB7PSMB5GPR34
SCHEMBL5926755 0.80 KCNA5 (0.60) ITGB1ITGA4
SCHEMBL8340240 0.80 KCNA5 (0.60) ITGB1ITGA4
SCHEMBL5926619 0.80 ITGA4 (0.47) ITGB1ITGA4ITGB7SERPINE1NPSR1
SCHEMBL5926681 0.80 ERAP1 (0.53) ITGB1ITGA4ITGB7GPR34NHERF1
SCHEMBL3992010 0.80 PDK1 (0.54) ITGB1ITGA4ITGB7SERPINE1PDK1
SCHEMBL5926666 0.80 ITGB1 (0.54) ITGB1ITGA4ITGB7GPR34NHERF1
SCHEMBL8337957 0.80 ITGB1 (0.54) ITGB1ITGA4ITGB7GPR34NHERF1

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 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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