SCHEMBL2299260

SCHEMBL2299260

O=C(O)CC(c1cccnc1)n1cnc2cc(NS(=O)(=O)c3ccccc3)ccc21

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.48
ADRB2 P07550 1/20 0.45
ADRB1 P08588 1/20 0.45
ADRB3 P13945 1/20 0.45
NR1I2 O75469 8/20 0.45
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 1/20 0.44
PKM P14618 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TBXAS1 P24557 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 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
SCHEMBL6015138 0.92 HPGD (0.54) HPGDNR1I2ALDH1A1MEN1PKM
SCHEMBL2292224 0.86 NR1I2 (0.56) HPGDNR1I2ALDH1A1MEN1PKM
SCHEMBL5300317 0.85 NR1I2 (0.48) HPGDNR1I2ALDH1A1MEN1PKM
SCHEMBL5300596 0.85 HPGD (0.50) HPGDNR1I2ALDH1A1MEN1PKM
SCHEMBL5292819 0.85 NR1I2 (0.48) HPGDNR1I2ALDH1A1MEN1PKM
SCHEMBL5285074 0.85 LMNA (0.53) HPGDNR1I2ALDH1A1MEN1PKM
SCHEMBL2292184 0.84 NR1I2 (0.53) HPGDNR1I2ALDH1A1MEN1PKM
SCHEMBL5290026 0.84 AKR1C3 (0.49) HPGDNR1I2ALDH1A1MEN1KMT2A
SCHEMBL5410518 0.83 NR1I2 (0.61) HPGDNR1I2ALDH1A1MEN1PKM
SCHEMBL5300268 0.83 NR1I2 (0.61) HPGDNR1I2ALDH1A1MEN1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US claimed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP claimed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US claimed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO claimed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
US-8003806-B2 Integrin antagonists useful as anticancer agents OSI Pharmaceuticals, LLC (US) 2011-08-23 US disclosed
EP-1828144-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI Pharmaceuticals, Inc. (US) 2007-09-05 EP disclosed
US-20060116383-A1 Integrin antagonists useful as anticancer agents ALCATEL LUCENT (FR) 2006-06-01 US disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 WO disclosed
WO-2006053342-A2 INTEGRIN ANTAGONISTS USEFUL AS ANTICANCER AGENTS OSI PHARMACEUTICALS, INC. (US) 2006-05-18 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-20060116383-A1 Integrin antagonists useful as anticancer agents ITGB5, ITGA5, ITGB1 HPGD 2856/4885ADRB2 1100/4885ADRB1 590/4885

“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.