SCHEMBL3431364

SCHEMBL3431364

[3H]CCCc1ccccc1S(=O)(=O)Cl

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MMP2 P08253 1/20 0.31
MMP8 P22894 1/20 0.31
MMP12 P39900 1/20 0.31
MMP13 P45452 1/20 0.31
MMP14 P50281 1/20 0.31
MMP16 P51512 1/20 0.31
PTGES2 Q9H7Z7 1/20 0.31
METAP2 P50579 1/20 0.30

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
SCHEMBL4446851 0.87 CTSB (0.40) CTSBALDH1A1HSD17B10TDP1PTGES2
SCHEMBL998791 0.80 LIPG (0.41) CTSBTDP1
SCHEMBL2818054 0.79 LIPG (0.47)
SCHEMBL1404117 0.77 LIPG (0.50)
SCHEMBL1404095 0.77 LIPG (0.50)
SCHEMBL11469686 0.77 LIPG (0.50)
SCHEMBL11361072 0.77 LIPG (0.50)
SCHEMBL1403964 0.77 LIPG (0.50)
SCHEMBL1403975 0.77 LIPG (0.50)
SCHEMBL1404140 0.77 LIPG (0.50)

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-8815829-B2 3′-azido purine nucleotide prodrugs for treatment of viral infections RFS PHARMA, LLC (US) 2014-08-26 US disclosed
US-20120135951-A1 3'-AZIDO PURINE NUCLEOTIDE PRODRUGS FOR TREATMENT OF VIRAL INFECTIONS UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION 2012-05-31 US disclosed
US-20100279969-A1 AZIDO PURINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS RFS PHARMA, LLC (US) 2010-11-04 US disclosed
WO-2010068708-A2 3'-AZIDO PURINE NUCLEOTIDE PRODRUGS FOR TREATMENT OF VIRAL INFECTIONS RFS PHARMA, LLC (US) 2010-06-17 WO disclosed
EP-2155771-A1 AZIDO PURINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS RFS Pharma, LLC. (US) 2010-02-24 EP disclosed
WO-2008143846-A1 AZIDO PURINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS RFS PHARMA, LLC (US) 2008-11-27 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-20100279969-A1 AZIDO PURINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS CDA, APOBEC3G, DIMT1 CTSB 2038/4885ALDH1A1 650/4885HSD17B10 2175/4885
US-20120135951-A1 3'-AZIDO PURINE NUCLEOTIDE PRODRUGS FOR TREATMENT OF VIRAL INFECTIONS PNP, ENTPD5, ADA CTSB 2370/4885ALDH1A1 912/4885HSD17B10 3257/4885

“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.