SCHEMBL6799057

SCHEMBL6799057

O=C(O)C1CCCN(S(=O)(=O)c2cccc(OCCCCNc3ccccn3)c2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.52
CYP4F2 P78329 4/20 0.51
CYP4A11 Q02928 4/20 0.51
AKR1C1 Q04828 1/20 0.48
LMNA P02545 3/20 0.46
ALDH1A1 P00352 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
PKM P14618 1/20 0.46
CCR6 P51684 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.44
ITGB1 P05556 1/20 0.44
ITGA5 P08648 1/20 0.44
CYP2C19 P33261 1/20 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
SCHEMBL6772284 0.90 RAB9A (0.55) CYP4F2CYP4A11LMNAALDH1A1SMN1; SMN2
SCHEMBL6771544 0.79 ITGB1 (0.51) LMNAALDH1A1KDM4EL3MBTL1ITGB1
SCHEMBL7700065 0.77 AKR1C3 (0.66) AKR1C3AKR1C1LMNAALDH1A1HTT
SCHEMBL6774349 0.73 ITGB3 (0.51) LMNAALDH1A1SMN1; SMN2KDM4EL3MBTL1
SCHEMBL6778668 0.73 ITGB3 (0.47) ITGB1ITGA5
SCHEMBL610121 0.72 MAPT (0.77) AKR1C3AKR1C1LMNAALDH1A1SMN1; SMN2
SCHEMBL21669903 0.72 MAPT (0.77) AKR1C3AKR1C1LMNAALDH1A1SMN1; SMN2
SCHEMBL4701073 0.72 MAPT (0.77) AKR1C3AKR1C1LMNAALDH1A1SMN1; SMN2
SCHEMBL23498075 0.71 AKR1C3 (0.72) AKR1C3AKR1C1LMNAALDH1A1SMN1; SMN2
SCHEMBL24754517 0.71 AKR1C3 (0.72) AKR1C3AKR1C1LMNAALDH1A1SMN1; SMN2

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-6833366-B1 Dihydrostilbene alkanoic acid derivatives PHARMACIA CORPORATION 2004-12-21 US claimed
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-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 AKR1C3 792/4885CYP4F2 2609/4885CYP4A11 2099/4885

“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.