SCHEMBL3363448

SCHEMBL3363448

CSc1ccc(Oc2ccc(S(=O)(=O)NCc3ccccc3)cc2CN(C)C)cc1C

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 11/20 0.67
HCRTR1 O43613 1/20 0.47
SLC6A3 Q01959 3/20 0.46
SLC6A2 P23975 2/20 0.46
PKM P14618 1/20 0.46
ALDH1A1 P00352 2/20 0.46
GUSB P08236 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
CA12 O43570 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
ATM Q13315 1/20 0.43
CA9 Q16790 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL3364476 0.86 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2ALDH1A1CA12
SCHEMBL6946647 0.85 SLC6A4 (0.76) SLC6A4SLC6A3SLC6A2
SCHEMBL6947894 0.84 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2GUSB
SCHEMBL6947654 0.83 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2
SCHEMBL6943253 0.81 SLC6A4 (0.70) SLC6A4SLC6A3SLC6A2
SCHEMBL6943256 0.81 SLC6A4 (0.70) SLC6A4SLC6A3SLC6A2GUSB
SCHEMBL6947668 0.80 SLC6A4 (0.69) SLC6A4SLC6A3SLC6A2SMN1; SMN2
SCHEMBL930692 0.80 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL30682154 0.80 SLC6A4 (1.00) SLC6A4SLC6A3SLC6A2
SCHEMBL7737215 0.80 SLC6A4 (0.68) SLC6A4SLC6A3SLC6A2PKMALDH1A1

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 9 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-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
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES ZALICUS INC. 2011-02-03 US disclosed
US-20100092479-A1 Compositions and methods for treatment of viral diseases COMBINATORX (SINGAPORE) PTE. LTD. (SG) 2010-04-15 US disclosed
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 (3 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 34/4885HCRTR1 458/4885SLC6A3 226/4885
US-20110028564-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF FILOVIRUS-MEDIATED DISEASES FLNA, FLNB, PIGS SLC6A4 4537/4885HCRTR1 2916/4885SLC6A3 4289/4885
US-20100092479-A1 Compositions and methods for treatment of viral diseases HAVCR2, RNASE1, EIF2AK2 SLC6A4 4825/4885HCRTR1 2525/4885SLC6A3 4742/4885

“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.