SCHEMBL7742534

SCHEMBL7742534

CSc1ccc(Oc2ccc(S(N)(=O)=O)cc2CNC[C@@H](O)c2ccccc2)cc1C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 14/20 0.61
SLC6A3 Q01959 5/20 0.42
SLC6A2 P23975 4/20 0.42
HRH3 Q9Y5N1 4/20 0.42
SOS1 Q07889 2/20 0.39
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
GUSB P08236 1/20 0.37
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
HTR2A P28223 1/20 0.36
ADRA1A P35348 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL3360984 0.89 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2HRH3SOS1
SCHEMBL7737285 0.89 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2HRH3SOS1
SCHEMBL3360981 0.89 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2HRH3SOS1
SCHEMBL3361717 0.82 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2HRH3SOS1
SCHEMBL3361902 0.81 SLC6A4 (0.76) SLC6A4SLC6A3SLC6A2HRH3SOS1
SCHEMBL7946261 0.80 SLC6A4 (0.70) SLC6A4SLC6A3SLC6A2HRH3SOS1
SCHEMBL7741857 0.79 SLC6A4 (0.76) SLC6A4SLC6A3SLC6A2HRH3SOS1
SCHEMBL3362794 0.79 SLC6A4 (0.79) SLC6A4SLC6A3SLC6A2HRH3SOS1
SCHEMBL7741479 0.78 SLC6A4 (0.73) SLC6A4SLC6A3SLC6A2HRH3SOS1
SCHEMBL3363208 0.77 SLC6A4 (0.76) SLC6A4SLC6A3SLC6A2HRH3SOS1

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-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 226/4885SLC6A2 71/4885

“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.