SCHEMBL5058681

SCHEMBL5058681

c1ccc(CSSC2COCCO2)cc1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.31
TSHR P16473 1/20 0.30
IDO1 P14902 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL2382377 0.70 TSHR (0.34) HTTTSHR
SCHEMBL14510164 0.70 CRBN (0.38)
SCHEMBL14510166 0.70 CRBN (0.38)
SCHEMBL27332551 0.70 CHRM2 (0.33)
SCHEMBL8485 0.67 SLC6A2 (0.42)
Ammonia Solution, Strong SCHEMBL27469603 0.66 SLC6A2 (0.41)
Hydrochloric Acid SCHEMBL12503316 0.66 KDM4E (0.41)
Dibenzyl Disulfide SCHEMBL160895 0.65 HSD17B10 (0.52) TSHRIDO1NOS3NOS1NOS2
Dibenzyl Disulfide SCHEMBL16332737 0.65 HSD17B10 (0.52) TSHRIDO1NOS3NOS1NOS2
SCHEMBL450127 0.65 DRD4 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146540-A1 Methods of diagnosis and treatment for asthma, allergic rhinitis and other respiratory diseases based on haplotype association DECODE GENETICS EHF. (IS) 2008-06-19 US disclosed
EP-1848436-A2 METHODS OF DIAGNOSIS AND TREATMENT FOR ASTHMA, ALLERGIC RHINITIS AND OTHER RESPIRATORY DISEASES BASED ON HAPLOTYPE ASSOCIATION Decode Genetics EHF. (IS) 2007-10-31 EP disclosed
WO-2006081555-A2 METHODS OF DIAGNOSIS AND TREATMENT FOR ASTHMA, ALLERGIC RHINITIS AND OTHER RESPIRATORY DISEASES BASED ON HAPLOTYPE ASSOCIATION DECODE GENETICS EHF. (IS) 2006-08-03 WO disclosed
EP-1646372-A2 METHODS OF DIAGNOSIS AND TREATMENT FOR ASTHMA BASED ON HAPLOTYPE ASSOCIATION Decode Genetics EHF. (IS) 2006-04-19 EP disclosed
US-20060014165-A1 Methods of diagnosis and treatment for asthma and other respiratory diseases based on haplotype association DECODE GENETICS EHF. (IS) 2006-01-19 US disclosed
WO-2005007144-A2 METHOD OF DIAGNOSIS AND TREATMENT FOR ASTHMA BASED ON HAPLOTYPE ASSOCIATION DECODE GENETICS EHF (IS) 2005-01-27 WO disclosed
WO-2003064428-A1 FURANO- AND THIENOPYRIMIDINES AS NEUROKINASE INHIBITORS H. LUNDBECK A/S (DK) 2003-08-07 WO 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-20080146540-A1 Methods of diagnosis and treatment for asthma, allergic rhinitis and other respiratory diseases based on haplotype association MAP3K9, MAP4K5, MAP3K19 HTT 4446/4885TSHR 4297/4885IDO1 417/4885
US-20060014165-A1 Methods of diagnosis and treatment for asthma and other respiratory diseases based on haplotype association MAP3K9, MAP3K19, MAP4K5 HTT 4789/4885TSHR 4512/4885IDO1 1489/4885

“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.