SCHEMBL6947732

SCHEMBL6947732

CN(C)Cc1cc(S(N)(=O)=O)ccc1Oc1ccc(C(N)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.69
SLC6A3 Q01959 3/20 0.67
SOS1 Q07889 2/20 0.61
SLC6A2 P23975 5/20 0.61
CA2 P00918 2/20 0.48
HTR2A P28223 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
SCN9A Q15858 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
PARP15 Q460N3 1/20 0.43
PARP14 Q460N5 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP16 Q8N5Y8 1/20 0.43
PARP11 Q9NR21 1/20 0.43
PARP4 Q9UKK3 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
SCHEMBL6947370 0.84 SLC6A4 (0.73) SLC6A4SLC6A3SOS1SLC6A2CA2
Uk-390957 SCHEMBL931652 0.81 SLC6A4 (1.00) SLC6A4SLC6A3SOS1SLC6A2HTR2A
SCHEMBL6151447 0.81 SLC6A4 (1.00) SLC6A4SLC6A3SOS1SLC6A2
SCHEMBL6947359 0.81 SLC6A4 (0.69) SLC6A4SLC6A3SOS1SLC6A2CA2
SCHEMBL7737267 0.78 SLC6A4 (0.75) SLC6A4SLC6A3SOS1SLC6A2HTR2A
SCHEMBL6954904 0.77 SLC6A4 (0.66) SLC6A4SLC6A3SOS1SLC6A2HTR2A
SCHEMBL6151207 0.77 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2HTR2AALDH1A1
SCHEMBL30682154 0.76 SLC6A4 (1.00) SLC6A4SLC6A3SOS1SLC6A2
SCHEMBL930692 0.76 SLC6A4 (1.00) SLC6A4SLC6A3SOS1SLC6A2
SCHEMBL19891766 0.76 SLC6A4 (0.61) SLC6A4SLC6A3SOS1CA2CA12

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 8 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-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-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
US-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 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 34/4885SLC6A3 226/4885SOS1 2072/4885
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS SLC6A4 4537/4885SLC6A3 4289/4885SOS1 4820/4885
US-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 SLC6A4 4825/4885SLC6A3 4742/4885SOS1 4376/4885

“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.