SCHEMBL5926480

SCHEMBL5926480

O=C(N[C@@H](Cc1ccc(-c2ccc(Oc3ccccc3)cc2)cc1)C(=O)O)c1cc(Br)ccc1OCCCCCCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 8/20 0.49
▸ ITGA2B P08514 8/20 0.49
▸ KIFC1 Q9BW19 1/20 0.46
▸ ITGB1 P05556 2/20 0.43
▸ ITGA4 P13612 2/20 0.43
▸ ITGB7 P26010 2/20 0.43
▸ GPR34 Q9UPC5 4/20 0.42
▸ GPR132 Q9UNW8 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ MME P08473 2/20 0.41
▸ ACE P12821 2/20 0.41
▸ CPA1 P15085 2/20 0.41
▸ ACE2 Q9BYF1 2/20 0.41

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
SCHEMBL5927218 0.99 ITGB3 (0.47) ITGB3ITGA2BKIFC1ITGB1ITGA4
SCHEMBL5926927 0.93 HDAC1 (0.48) —
SCHEMBL5926496 0.92 ITGB3 (0.44) ITGB3ITGA2BKIFC1ITGB1ITGA4
SCHEMBL5927496 0.92 ITGB3 (0.44) ITGB3ITGA2BKIFC1ITGB1ITGA4
SCHEMBL5926426 0.92 HDAC1 (0.46) —
SCHEMBL5926565 0.91 KIFC1 (0.44) ITGB3ITGA2BKIFC1ITGB1ITGA4
SCHEMBL3995844 0.88 KIFC1 (0.45) ITGB3ITGA2BKIFC1ITGB1ITGA4
SCHEMBL3994279 0.86 PTPN11 (0.51) ITGB3ITGA2BKIFC1ITGB1ITGA4
SCHEMBL4829715 0.86 PTPN11 (0.51) ITGB3ITGA2BKIFC1ITGB1ITGA4
SCHEMBL5926489 0.85 CTSA (0.43) —

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 ITGB3 71/4885ITGA2B 93/4885KIFC1 4489/4885

“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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