SCHEMBL5281201

SCHEMBL5281201

CS(=O)(=O)Nc1ccc2c(c1)ncn2C(CC(=O)O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
NR1I2 O75469 7/20 0.51
KDM4E B2RXH2 3/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
LMNA P02545 1/20 0.43
GFER P55789 1/20 0.41
PLA2G4A P47712 1/20 0.41
PHGDH O43175 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PPARG P37231 1/20 0.39

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 0.88 HPGD (0.54) KMT2ANR1I2SMN1; SMN2HPGDLMNA
SCHEMBL5300596 0.88 HPGD (0.50) KMT2ANR1I2SMN1; SMN2HPGDLMNA
SCHEMBL5304073 0.87 NR1I2 (0.59) KMT2ANR1I2KDM4ERAB9ANPC1
SCHEMBL5305767 0.85 NR1I2 (0.45) KMT2ANR1I2KDM4ERAB9ASMN1; SMN2
SCHEMBL5300317 0.84 NR1I2 (0.48) KMT2ANR1I2SMN1; SMN2HPGDLMNA
SCHEMBL5292819 0.84 NR1I2 (0.48) KMT2ANR1I2KDM4ESMN1; SMN2HPGD
SCHEMBL5293985 0.84 HSPD1 (0.45) KMT2ANR1I2KDM4ESMN1; SMN2HPGD
SCHEMBL5285074 0.84 LMNA (0.53) KMT2ANR1I2SMN1; SMN2HPGDLMNA
SCHEMBL5410518 0.84 NR1I2 (0.61) KMT2ANR1I2SMN1; SMN2HPGDLMNA
SCHEMBL5291553 0.83 NR1I2 (0.60) KMT2ANR1I2SMN1; SMN2HPGDLMNA

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 KMT2A 3680/4885NR1I2 1911/4885KDM4E 1654/4885

“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.