SCHEMBL15080264

SCHEMBL15080264

CSc1ccc(Oc2ccc(N[SH](=O)=O)cc2CO)cc1C

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.56
SLC6A2 P23975 4/20 0.43
SLC6A3 Q01959 4/20 0.43
HRH3 Q9Y5N1 4/20 0.43
ALDH1A1 P00352 2/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
GUSB P08236 1/20 0.36
HPGD P15428 1/20 0.36
THRB P10828 1/20 0.35
HSD17B10 Q99714 1/20 0.34
HTR2A P28223 2/20 0.34
KCNH2 Q12809 2/20 0.34

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
SCHEMBL14299109 0.89 SLC6A4 (0.71) SLC6A4SLC6A2SLC6A3HRH3HTR2A
SCHEMBL15080255 0.88 SLC6A4 (0.55) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1
SCHEMBL15080265 0.88 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3HRH3HTR2A
SCHEMBL15080250 0.87 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1
SCHEMBL15080251 0.87 SLC6A4 (0.56) SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL15080256 0.87 SLC6A4 (0.54) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1
SCHEMBL15080266 0.86 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1
SCHEMBL15080258 0.82 SLC6A4 (0.46) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1
SCHEMBL15080257 0.81 SLC6A4 (0.52) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1
SCHEMBL15080262 0.80 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3HRH3ALDH1A1

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 2 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

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-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS SLC6A4 4537/4885SLC6A2 3501/4885SLC6A3 4289/4885

“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.