SCHEMBL3361902

SCHEMBL3361902

CNCc1cc(S(N)(=O)=O)ccc1Oc1ccc(SC)c(C)c1

nearest known ligand 0.76

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 19/20 0.76
SLC6A3 Q01959 5/20 0.54
HRH3 Q9Y5N1 5/20 0.54
SLC6A2 P23975 4/20 0.54
HTR2A P28223 4/20 0.51
KCNH2 Q12809 3/20 0.51
SOS1 Q07889 1/20 0.47

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
SCHEMBL7741453 0.88 SLC6A4 (0.59) SLC6A4SLC6A3HRH3SLC6A2HTR2A
SCHEMBL7946261 0.87 SLC6A4 (0.70) SLC6A4SLC6A3HRH3SLC6A2HTR2A
SCHEMBL7735932 0.87 SLC6A4 (0.63) SLC6A4SLC6A3SLC6A2HTR2AKCNH2
SCHEMBL6152231 0.87 SLC6A4 (0.57) SLC6A4SLC6A3HRH3HTR2AKCNH2
SCHEMBL3361717 0.86 SLC6A4 (0.69) SLC6A4SLC6A3HRH3SLC6A2SOS1
SCHEMBL3362794 0.86 SLC6A4 (0.79) SLC6A4SLC6A3HRH3SLC6A2SOS1
SCHEMBL930692 0.86 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2SOS1
SCHEMBL30682154 0.86 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2SOS1
SCHEMBL3360984 0.86 SLC6A4 (0.68) SLC6A4SLC6A3HRH3SLC6A2HTR2A
SCHEMBL7737285 0.86 SLC6A4 (0.68) SLC6A4SLC6A3HRH3SLC6A2HTR2A

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 5 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
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 (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-20100009970-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF VIRAL DISEASES HTR1A, HTR3B, HTR3A SLC6A4 34/4885SLC6A3 226/4885HRH3 495/4885

“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.