SCHEMBL3364730

SCHEMBL3364730

CSc1ccc(Oc2ccc(S(N)(=O)=O)cc2C(=O)O)cc1C

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.65
CA2 P00918 4/20 0.44
CA4 P22748 2/20 0.44
POLB P06746 2/20 0.42
KDM4E B2RXH2 1/20 0.42
EPAS1 Q99814 1/20 0.39
SOS1 Q07889 1/20 0.39
GAA P10253 2/20 0.39
SLC6A3 Q01959 3/20 0.38
SLC6A2 P23975 2/20 0.38
HRH3 Q9Y5N1 2/20 0.38
S1PR3 Q99500 1/20 0.38

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
SCHEMBL3365996 0.89 SLC6A4 (0.63) SLC6A4CA2CA4EPAS1GAA
SCHEMBL7206961 0.88 SLC6A4 (0.62) SLC6A4CA2CA4SLC6A3SLC6A2
SCHEMBL7741855 0.83 SLC6A4 (0.71) SLC6A4CA2KDM4ESOS1GAA
SCHEMBL3360532 0.82 SLC6A4 (0.58) SLC6A4CA2CA4
SCHEMBL3366892 0.82 SLC6A4 (0.57) SLC6A4CA2CA4SLC6A3SLC6A2
SCHEMBL3366900 0.82 SLC6A4 (0.57) SLC6A4CA2CA4SLC6A3SLC6A2
SCHEMBL3362794 0.81 SLC6A4 (0.79) SLC6A4SOS1SLC6A3SLC6A2HRH3
SCHEMBL7958686 0.80 SLC6A4 (0.73) SLC6A4SOS1SLC6A3SLC6A2HRH3
SCHEMBL3364498 0.80 SLC6A4 (0.67) SLC6A4EPAS1SOS1SLC6A3SLC6A2
SCHEMBL7735886 0.80 SLC6A4 (0.67) SLC6A4CA2SOS1SLC6A3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8475804-B2 Compositions and methods for treatment of filovirus-mediated diseases U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) 2013-07-02 US disclosed
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed
US-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 US disclosed
WO-2010021681-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-02-25 WO disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US disclosed
US-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-01-14 US 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 (3 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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A SLC6A4 34/4885CA2 4884/4885CA4 4795/4885
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS SLC6A4 4537/4885CA2 3873/4885CA4 2931/4885
US-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 SLC6A4 4825/4885CA2 3884/4885CA4 1911/4885

“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.