SCHEMBL5856757

SCHEMBL5856757

COC(=O)C[C@@H]1C[C@@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GABRR1 P24046 4/20 0.48
▸ GABRR2 P28476 1/20 0.48
▸ CA1 P00915 10/20 0.42
▸ CA2 P00918 10/20 0.42
▸ CA9 Q16790 4/20 0.42
▸ CA12 O43570 4/20 0.42
▸ TSHR P16473 1/20 0.42
▸ BRD4 O60885 1/20 0.36

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
SCHEMBL14070058 1.00 GABRR1 (0.48) GABRR1GABRR2CA1CA2CA9
SCHEMBL5856801 1.00 GABRR1 (0.48) GABRR1GABRR2CA1CA2CA9
SCHEMBL14499820 0.80 TSHR (0.46) TSHRBRD4
SCHEMBL5638542 0.80 TSHR (0.46) TSHRBRD4
SCHEMBL5638546 0.80 TSHR (0.46) TSHRBRD4
SCHEMBL18797562 0.79 GABRR1 (0.48) GABRR1GABRR2CA1CA2CA9
SCHEMBL21413387 0.79 GABRR1 (0.48) GABRR1GABRR2CA1CA2CA9
SCHEMBL21987681 0.79 GABRR1 (0.48) GABRR1GABRR2CA1CA2CA9
SCHEMBL18797542 0.79 GABRR1 (0.48) GABRR1GABRR2CA1CA2CA9
SCHEMBL14499819 0.77 SLC6A12 (0.46) TSHRBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008112251-A1 CYCLOPROPYL-CONTAINING POLYAMINE ANALOGS AS DISEASE THERAPIES PROGEN PHARMACEUTICALS, INC. (US) 2008-09-18 — — WO disclosed
US-7119098-B2 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION (US) 2006-10-10 — — US disclosed
US-6933304-B2 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION (US) 2005-08-23 — — US disclosed
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists PHARMACIA CORPORATION 2004-05-13 — — US disclosed
EP-1289983-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 — — EP disclosed
US-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists PHARMACIA CORPORATION 2002-09-19 — — US disclosed
WO-2001096334-A2 HETEROARYLALKANOIC ACIDS AS INTEGRIN RECEPTOR ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 — — WO 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 (2 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-20020133023-A1 Heteroarylalkanoic acids as integrin receptor antagonists ITGA5, ITGA2B, ITGAV GABRR1 109/4885GABRR2 158/4885CA1 2031/4885
US-20040092497-A1 Heteroarylakanoic acids as intergrin receptor antagonists ITGA5, ITGB7, ITGA2B GABRR1 54/4885GABRR2 75/4885CA1 3465/4885

“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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