SCHEMBL5875599

SCHEMBL5875599

Nc1ncc(S(=O)(=O)c2ccc(NCc3ccccc3)cc2)s1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.58
SLC6A3 Q01959 1/20 0.58
CA1 P00915 3/20 0.55
CA2 P00918 3/20 0.55
CA12 O43570 2/20 0.55
CA9 Q16790 2/20 0.55
LOXL2 Q9Y4K0 2/20 0.48
NAMPT P43490 2/20 0.46
CYP1A2 P05177 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.42
CA7 P43166 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
EDNRA P25101 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GRM5 P41594 1/20 0.41
GHSR Q92847 2/20 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
SCHEMBL5875593 0.85 CA1 (0.52) CA1CA2CA12CA9LOXL2
SCHEMBL1062382 0.81 ADORA3 (0.75) ADORA3SLC6A3LOXL2
SCHEMBL5875745 0.77 ADORA3 (0.69) ADORA3SLC6A3LOXL2NAMPTLMNA
Thiazolsulfone SCHEMBL152559 0.75 ADORA3 (1.00) ADORA3SLC6A3CA1CA2CA12
SCHEMBL5875692 0.72 ADORA3 (0.76) ADORA3SLC6A3CA1CA2CA12
Benzylsulfamide SCHEMBL49548 0.72 CA2 (1.00) CA1CA2CA12CA9CYP1A2
Benzylsulfamide SCHEMBL3648127 0.70 CA1 (0.97) CA1CA2CA12CA9CYP1A2
SCHEMBL1062638 0.69 ADORA3 (0.69) ADORA3SLC6A3CA1CA2CA12
SCHEMBL9189617 0.69 CA1 (0.70) CA1CA2CA12CA9CYP1A2
SCHEMBL11214389 0.69 CA2 (0.70) CA1CA2CA12CA9CYP1A2

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
JP-2006504796-A 2006-02-09 JP claimed
EP-1551815-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP claimed
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 US claimed
WO-2004033439-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 WO claimed
EP-1551815-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS Pfizer Products Inc. (US) 2005-07-13 EP disclosed
US-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders PFIZER INC 2004-08-05 US disclosed
WO-2004033439-A1 THIAZOLE COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS PFIZER PRODUCTS INC. (US) 2004-04-22 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 (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-20040152747-A1 Thiazole compounds for treatment of neurodegenerative disorders APP, PARK7, IAPP ADORA3 130/4885SLC6A3 1100/4885CA1 1403/4885

“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.