SCHEMBL5300317

SCHEMBL5300317

Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)ncn3C(CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 7/20 0.48
HPGD P15428 4/20 0.48
ALDH1A1 P00352 4/20 0.45
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
LMNA P02545 3/20 0.43
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CDC7 O00311 1/20 0.42
EEF2K O00418 1/20 0.42
PLK4 O00444 1/20 0.42
AURKA O14965 1/20 0.42
DYRK3 O43781 1/20 0.42
RPS6KA5 O75582 1/20 0.42
PRKD3 O94806 1/20 0.42
MAP4K4 O95819 1/20 0.42
PIM1 P11309 1/20 0.42

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 0.93 HPGD (0.54) NR1I2HPGDALDH1A1KMT2AMEN1
SCHEMBL5300596 0.91 HPGD (0.50) NR1I2HPGDALDH1A1KMT2AMEN1
SCHEMBL5292819 0.91 NR1I2 (0.48) NR1I2HPGDALDH1A1KMT2AMEN1
SCHEMBL5285074 0.91 LMNA (0.53) NR1I2HPGDALDH1A1KMT2AMEN1
SCHEMBL5300268 0.88 NR1I2 (0.61) NR1I2HPGDALDH1A1KMT2AMEN1
SCHEMBL5410518 0.88 NR1I2 (0.61) NR1I2HPGDALDH1A1KMT2AMEN1
SCHEMBL5291553 0.88 NR1I2 (0.60) NR1I2HPGDALDH1A1KMT2AMEN1
SCHEMBL2292224 0.88 NR1I2 (0.56) NR1I2HPGDALDH1A1KMT2AMEN1
SCHEMBL2299260 0.85 HPGD (0.48) NR1I2HPGDALDH1A1KMT2AMEN1
SCHEMBL5290026 0.85 AKR1C3 (0.49) NR1I2HPGDALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 NR1I2 1911/4885HPGD 2856/4885ALDH1A1 1381/4885

“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.