SCHEMBL3364476

SCHEMBL3364476

CSc1ccc(Oc2ccc(S(=O)(=O)Nc3ccccc3)cc2CN(C)C)cc1C

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 13/20 0.69
SLC6A3 Q01959 2/20 0.48
SLC6A2 P23975 1/20 0.48
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
CACNA1B Q00975 2/20 0.44
SOS1 Q07889 1/20 0.43
FFAR1 O14842 1/20 0.41

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
SCHEMBL7737215 0.91 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2ALDH1A1HTT
SCHEMBL7741395 0.90 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2ALDH1A1SOS1
SCHEMBL3363248 0.90 SLC6A4 (0.58) SLC6A4CA12CA9ALDH1A1HTT
SCHEMBL6946647 0.86 SLC6A4 (0.76) SLC6A4SLC6A3SLC6A2SOS1
SCHEMBL3363448 0.86 SLC6A4 (0.67) SLC6A4SLC6A3SLC6A2CA12CA9
SCHEMBL6943253 0.83 SLC6A4 (0.70) SLC6A4SLC6A3SLC6A2SOS1
SCHEMBL3363560 0.82 SCN9A (0.58)
SCHEMBL6947668 0.82 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2SOS1
SCHEMBL6947894 0.82 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2SOS1
SCHEMBL930692 0.82 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2SOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (2 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
US-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 SLC6A4 4825/4885SLC6A3 4742/4885SLC6A2 4758/4885

“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.