SCHEMBL7741855

SCHEMBL7741855

CSc1ccc(Oc2ccc(S(N)(=O)=O)cc2N)cc1C

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 7/20 0.71
ALDH1A1 P00352 3/20 0.47
HSD17B10 Q99714 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 3/20 0.41
SOS1 Q07889 2/20 0.41
SLC6A3 Q01959 1/20 0.40
PTGS1 P23219 2/20 0.39
PTGS2 P35354 2/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL7735886 0.84 SLC6A4 (0.67) SLC6A4ALDH1A1CA12CA1CA2
SCHEMBL3364498 0.84 SLC6A4 (0.67) SLC6A4ALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL7958686 0.84 SLC6A4 (0.73) SLC6A4ALDH1A1HSD17B10CYP1A2CYP2C9
SCHEMBL3363794 0.84 SLC6A4 (0.65) SLC6A4ALDH1A1HSD17B10CA12CA1
SCHEMBL3364730 0.83 SLC6A4 (0.65) SLC6A4CA2SOS1SLC6A3KDM4E
SCHEMBL30682154 0.83 SLC6A4 (1.00) SLC6A4SOS1SLC6A3
SCHEMBL3362794 0.83 SLC6A4 (0.79) SLC6A4SOS1SLC6A3
SCHEMBL930692 0.83 SLC6A4 (1.00) SLC6A4SOS1SLC6A3
SCHEMBL7741483 0.83 SLC6A4 (0.65) SLC6A4
SCHEMBL6955114 0.82 SLC6A4 (0.78) SLC6A4SOS1SLC6A3

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 34/4885ALDH1A1 2240/4885HSD17B10 3252/4885

“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.