SCHEMBL1244355

SCHEMBL1244355

Cc1ccc(S(=O)(=O)N[C@@H](CCCNC(=N)N)C(N)=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.60
ITGA2B P08514 2/20 0.60
PLAU P00749 7/20 0.54
HPN P05981 7/20 0.54
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
HPGD P15428 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 1/20 0.45
ALB P02768 1/20 0.45
CYP2C9 P11712 1/20 0.45
TSHR P16473 1/20 0.45
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
SLC1A1 P43005 1/20 0.43
CA12 O43570 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
NPY5R Q15761 1/20 0.43
MMP2 P08253 2/20 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
Hydrochloric Acid SCHEMBL7319933 0.99 ITGB3 (0.59) ITGB3ITGA2BPLAUHPNALDH1A1
SCHEMBL1509767 0.92 ITGB3 (0.71) ITGB3ITGA2BPLAUHPNTDP1
SCHEMBL9293208 0.92 ITGB3 (0.71) ITGB3ITGA2BPLAUHPNTDP1
SCHEMBL1509766 0.92 ITGB3 (0.71) ITGB3ITGA2BPLAUHPNTDP1
Hydrochloric Acid SCHEMBL7362847 0.91 ITGB3 (0.70) ITGB3ITGA2BPLAUHPNTDP1
Hydrochloric Acid SCHEMBL7362845 0.91 ITGB3 (0.70) ITGB3ITGA2BPLAUHPNTDP1
Ammonia Solution, Strong SCHEMBL8055739 0.91 ITGB3 (0.70) ITGB3ITGA2BPLAUHPNTDP1
Methyl P-Toluenesulfonyl-L-Argininate SCHEMBL324561 0.90 ITGB3 (0.57) ITGB3ITGA2BPLAUHPNALDH1A1
Methyl P-Toluenesulfonyl-L-Argininate SCHEMBL2853451 0.90 ITGB3 (0.57) ITGB3ITGA2BPLAUHPNALDH1A1
Methyl P-Toluenesulfonyl-L-Argininate SCHEMBL1034821 0.89 ITGB3 (0.56) ITGB3ITGA2BPLAUHPNALDH1A1

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 110 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7883903-B2 Chemiluminescent substrate for use as diagnostic tool in analysis of macromolecules; substrate delivery systems comprising a conjugate a dendrimer and at least one chemiluminescent substrate; improving the machine readability, sensitivity and performance aspects of the assays APPLIED BIOSYSTEMS, LLC 2011-02-08 US claimed
EP-1358344-B1 Dendritic chemiluminescent substrates APPLERA CORP (US) 2007-08-29 EP claimed
US-20070184491-A1 Dendritic chemiluminescent substrates APPLIED BIOSYSTEMS, INC. 2007-08-09 US claimed
US-7214546-B2 Dendritic chemiluminescent substrates APPLERA CORPORATION (US) 2007-05-08 US claimed
EP-1120423-B1 Improved chemiluminescent 1,2-dioxetanes APPLERA CORP (US) 2007-03-14 EP claimed
EP-1120422-B1 Improved chemiluminescent 1,2-dioxetanes APPLERA CORP (US) 2006-08-02 EP claimed
EP-1358344-A4 DENDRITIC CHEMILUMINESCENT SUBSTRATES APPLERA CORP (US) 2004-11-03 EP claimed
EP-1358344-A2 Dendritic chemiluminescent substrates TROPIX, INC. (US) 2003-11-05 EP claimed
US-20020155523-A1 Chemiluminescent substrate for use as diagnostic tool in analysis of macromolecules APPLIED BIOSYSTEMS, INC. 2002-10-24 US claimed
WO-2002057745-A2 DENDRITIC CHEMILUMINESCENT SUBSTRATES TROPIX, INC. (US) 2002-07-25 WO claimed
US-5582980-A Chemiluminescent 1,2-dioxetanes TROPIX, INC. (US) 1996-12-10 US claimed
US-5543295-A ENZYMATICALLY CLEAVABLE; ANALYZING TROPIX, INC. (US) 1996-08-06 US claimed
US-5538847-A Chemiluminescent 1,2-dioxetanes TROPIX, INC. (US) 1996-07-23 US claimed
EP-0649417-A1 IMPROVED CHEMILUMINESCENT 1,2-DIOXETANES TROPIX, INC. (US) 1995-04-26 EP claimed
EP-0649417-A4 IMPROVED CHEMILUMINESCENT 1,2-DIOXETANES. TROPIX INC (US) 1995-02-27 EP claimed
WO-1994026726-A1 IMPROVED CHEMILUMINESCENT 1,2-DIOXETANES TROPIX, INC. (US) 1994-11-24 WO claimed
US-5330900-A Chemiluminescent 3-(substituted adamant-2'-ylidene) 1,2-dioxetanes TROPIX, INC. (US) 1994-07-19 US claimed
US-5326882-A High speed bioassay TROPIX, INC. (US) 1994-07-05 US claimed
US-5220005-A Reactable with enzyme to release optically detectable energy TROPIX, INC. (US) 1993-06-15 US claimed
US-5112960-A Enzyme cleavable 1,2-dioxetane compound APPLIED BIOSYSTEMS, LLC 1992-05-12 US 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-20020155523-A1 Chemiluminescent substrate for use as diagnostic tool in analysis of macromolecules LPO, DCLRE1B, LIG3 ITGB3 3465/4885ITGA2B 3441/4885PLAU 637/4885

“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.