SCHEMBL6076887

SCHEMBL6076887

CO[C@H](C)[C@H](COC(C)=S)NC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA7 P43166 2/20 0.48
CTSK P43235 8/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
CYP2D6 P10635 1/20 0.38
KLK5 Q9Y337 2/20 0.36
CTSS P25774 3/20 0.36
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
PREP P48147 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34

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
SCHEMBL29890909 0.88 CA1 (0.51) CA1CA2CA7CTSKCA4
SCHEMBL6405983 0.80 CA1 (0.46) CA1CA2CA7CTSKCA4
SCHEMBL29681372 0.79 CA1 (0.56) CA1CA2CA7CTSKCA4
SCHEMBL6661458 0.79 CA1 (0.56) CA1CA2CA7CTSKCA4
SCHEMBL2519000 0.79 CA1 (0.56) CA1CA2CA7CTSKCA4
SCHEMBL24554689 0.79 CA1 (0.56) CA1CA2CA7CTSKCA4
SCHEMBL4549626 0.77 CA1 (0.54) CA1CA2CA7CTSKCA4
SCHEMBL24136470 0.77 CA1 (0.58) CA1CA2CA7CTSKCYP2D6
SCHEMBL6400709 0.77 SYK (0.40) CA1CA2CA7CTSKCA9
SCHEMBL4549628 0.76 CA1 (0.53) CA1CA2CA7CTSKCA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7038055-B2 Sulfone derivatives and their use in the treatment of autoimmune diseases and allergies SMITHKLINEBEECHAM PLC (GB) 2006-05-02 US disclosed
EP-1448529-B1 SULFONE DERIVATIVES SUITABLE FOR THE TREATMENT OF AUTOIMMUNE DISEASES AND ALLERGIES SMITHKLINE BEECHAM PLC (GB) 2005-07-13 EP disclosed
US-20050070572-A1 Sulfone derivatives and their use in the treatment of autoimmune diseases and allergies SMITHKLINE BEECHAM PLC (GB) 2005-03-31 US disclosed
EP-1448529-A1 SULFONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AND ALLERGIES SMITHKLINE BEECHAM PLC (GB) 2004-08-25 EP disclosed
WO-2003045922-A1 SULFONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF AUTOIMMUNE DISEASES AND ALLERGIES SMITHKLINE BEECHAM P.L.C. (GB) 2003-06-05 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-20050070572-A1 Sulfone derivatives and their use in the treatment of autoimmune diseases and allergies CD2, SSB, CD22 CA1 785/4885CA2 645/4885CA7 330/4885

“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.