SCHEMBL6096972

SCHEMBL6096972

N=C(N)c1ccc(C[CH]C(=O)N2CCCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 4/20 0.49
ITGA2B P08514 4/20 0.49
F2 P00734 11/20 0.46
PRSS1 P07477 10/20 0.44
PRSS2 P07478 4/20 0.44
PRSS3 P35030 4/20 0.44
TMPRSS6 Q8IU80 2/20 0.44
ST14 Q9Y5Y6 2/20 0.44
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
TPSAB1 Q15661 3/20 0.43
TPSD1 Q9BZJ3 3/20 0.43
TPSG1 Q9NRR2 3/20 0.43
PLG P00747 2/20 0.43
C1S P09871 1/20 0.43

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
SCHEMBL4420267 0.98 ITGB3 (0.50) ITGB3ITGA2BF2PRSS1PRSS2
SCHEMBL4422938 0.78 NPC1 (0.53) ALDH1A1HPGD
SCHEMBL4766522 0.75 NAMPT (0.43) ALDH1A1
SCHEMBL4423181 0.75 ALDH1A1 (0.49) ALDH1A1
SCHEMBL4420271 0.75 F2 (0.67) ITGB3ITGA2BF2PRSS1TPSAB1
SCHEMBL7449736 0.74 PRSS1 (0.51) ITGB3ITGA2BF2PRSS1TMPRSS15
SCHEMBL7450368 0.74 PRSS1 (0.51) ITGB3ITGA2BF2PRSS1TMPRSS15
SCHEMBL7308928 0.74 PRSS1 (0.51) ITGB3ITGA2BF2PRSS1TMPRSS15
SCHEMBL4420990 0.74 AVPR2 (0.44) ALDH1A1HPGD
SCHEMBL24065200 0.74 HPGD (0.70) ITGB3ITGA2BALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7109326-B2 Halo-alkoxycarbonyl prodrugs GENENTECH, INC. (US) 2006-09-19 US disclosed
EP-0975608-B1 HALO-ALKOXYCARBONYL PRODRUGS GENENTECH INC (US) 2005-06-15 EP disclosed
US-20040220401-A1 Novel halo-alkoxycarbonyl prodrugs GENENTECH, INC. 2004-11-04 US disclosed
US-20010020019-A1 NOVEL HALO-ALKOXYCARBONYL PRODRUGS GENENTECH, INC. 2001-09-06 US disclosed
EP-0975608-A2 HALO-ALKOXYCARBONYL PRODRUGS Genentech, Inc. (US) 2000-02-02 EP disclosed
WO-1998046576-A2 HALO-ALKOXYCARBONYL PRODRUGS GENENTECH, INC. (US) 1998-10-22 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 (2 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-20040220401-A1 Novel halo-alkoxycarbonyl prodrugs PNP, PAICS, PHOSPHO1 ITGB3 2194/4885ITGA2B 3070/4885F2 4407/4885
US-20010020019-A1 NOVEL HALO-ALKOXYCARBONYL PRODRUGS PNP, PAICS, PHOSPHO1 ITGB3 2194/4885ITGA2B 3070/4885F2 4407/4885

“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.