Sugi Predict

Sugi Predict / Compounds / SCHEMBL6326524

SCHEMBL6326524

SCHEMBL6326524

O=C(O)CC1C(c2ccc(O)cc2)C1(Br)Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 1/20 0.42
▸ ITGAV P06756 1/20 0.42
▸ ITGB5 P18084 1/20 0.42
▸ ITGB6 P18564 1/20 0.42
▸ CA2 P00918 2/20 0.37
▸ CAMK2A Q9UQM7 1/20 0.37
▸ MIF P14174 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA1 P00915 1/20 0.32
▸ CA3 P07451 1/20 0.32
▸ TYR P14679 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA6 P23280 1/20 0.32
▸ CA5A P35218 1/20 0.32

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
SCHEMBL6318635 0.81 ITGB3 (0.46) ITGB3ITGAVITGB5ITGB6CA2
SCHEMBL6321357 0.79 ITGB3 (0.42) ITGB3ITGAVITGB5ITGB6CA2
SCHEMBL6326443 0.79 ITGB3 (0.42) ITGB3ITGAVITGB5ITGB6CA2
SCHEMBL6319856 0.79 ITGB3 (0.42) ITGB3ITGAVITGB5ITGB6CA2
SCHEMBL6317159 0.79 ITGB3 (0.42) ITGB3ITGAVITGB6CA2CAMK2A
SCHEMBL7438967 0.64 HTR2A (0.41) ALDH1A1TSHRPTGS2
SCHEMBL6251811 0.64 ITGB3 (0.45) ITGB3ITGAVITGB5ITGB6CA2
SCHEMBL18763873 0.63 ESR2 (0.62) ESR2ESR1CYP3A4
SCHEMBL462294 0.63 ESR2 (0.62) ESR2ESR1CYP3A4
SCHEMBL2259544 0.63 ESR2 (0.62) ESR2ESR1CYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020077321-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-06-20 — — US claimed
US-6949578-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-09-27 — — US disclosed
US-6921767-B2 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION (US) 2005-07-26 — — US disclosed
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2004-05-13 — — US disclosed
US-20040043988-A1 Cycloalkyl alkanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-03-04 — — 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 (3 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-20040043988-A1 Cycloalkyl alkanoic acids as intergrin receptor antagonists ADGRE5, ITGA5, ADGRF1 ITGB3 5/4885ITGAV 7/4885ITGB5 4/4885
US-20040092538-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists derivatives ITGA5, ITGB5, ITGB3 ITGB3 3/4885ITGAV 6/4885ITGB5 2/4885
US-20020077321-A1 Cycloalkyl alkanoic acids as integrin receptor antagonists ITGA5, ITGB5, ITGB3 ITGB3 3/4885ITGAV 7/4885ITGB5 2/4885

“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.