SCHEMBL6772284

SCHEMBL6772284

O=C(O)C1CCN(S(=O)(=O)c2cccc(OCCCCNc3ccccn3)c2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
KMT2A Q03164 2/20 0.52
PKM P14618 2/20 0.52
ITGB1 P05556 4/20 0.49
ITGA5 P08648 3/20 0.49
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.46
CHRM5 P08912 1/20 0.46
HTT P42858 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ITGB3 P05106 3/20 0.44
ITGAV P06756 3/20 0.44

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
SCHEMBL6799057 0.90 AKR1C3 (0.52) RAB9ANPC1PKMITGB1ITGA5
SCHEMBL6771544 0.81 ITGB1 (0.51) ITGB1ITGA5LMNAALDH1A1KDM4E
SCHEMBL6774349 0.76 ITGB3 (0.51) ITGB1ITGA5LMNAALDH1A1SMN1; SMN2
SCHEMBL6778668 0.74 ITGB3 (0.47) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL6773294 0.73 ITGB3 (0.52) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL6768513 0.73 ITGB3 (0.56) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL6771727 0.73 ITGB1 (0.48) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL7029988 0.72 ITGB1 (0.55) KMT2AITGB1ITGA5CYP4F2CYP4A11
SCHEMBL6773136 0.71 ITGB3 (0.52) ITGB1ITGA5ITGB3ITGAVITGA2B
SCHEMBL6774218 0.71 ITGB3 (0.47) ITGB1ITGA5ITGB3ITGAVITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6720315-B2 FOR INHIBITING BONE RESORPTION, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR METASTASIS, SOLID TUMOR GROWTH, ANGIOGENESIS, MACULAR DEGENERATION AND DIABETIC RETINOPATHY RETINOPATHY PHARMACIA CORPORATION 2004-04-13 US claimed
EP-1289959-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP claimed
US-20020099209-A1 Dihydrostilbene alkanoic acid derivatives PHARMACIA CORPORATION 2002-07-25 US claimed
WO-2001096310-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN ANTAGONISTS PHARMACIA CORPORATION (US) 2001-12-20 WO claimed
US-6833366-B1 Dihydrostilbene alkanoic acid derivatives PHARMACIA CORPORATION 2004-12-21 US disclosed
US-6720315-B2 FOR INHIBITING BONE RESORPTION, PERIODONTAL DISEASE, OSTEOPOROSIS, HUMORAL HYPERCALCEMIA OF MALIGNANCY, PAGET'S DISEASE, TUMOR METASTASIS, SOLID TUMOR GROWTH, ANGIOGENESIS, MACULAR DEGENERATION AND DIABETIC RETINOPATHY RETINOPATHY PHARMACIA CORPORATION 2004-04-13 US disclosed
EP-1289959-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN ANTAGONISTS Pharmacia Corporation (US) 2003-03-12 EP disclosed
WO-2001096310-A1 DIHYDROSTILBENE ALKANOIC ACID DERIVATIVES USEFUL AS VITRONECTIN 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 (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-20020099209-A1 Dihydrostilbene alkanoic acid derivatives ITGA5, ITGB5, ITGB1 RAB9A 1309/4885NPC1 1458/4885KMT2A 3377/4885

“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.