SCHEMBL6077699

SCHEMBL6077699

CO[C@H](C)[C@@H](CS(=O)(=O)Cc1cnc2ccccc2c1)NCC#N

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.37
ALPL P05186 2/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
PDE10A Q9Y233 8/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FAAH O00519 3/20 0.35
RAB9A P51151 1/20 0.34
ACACB O00763 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33

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
SCHEMBL6663806 0.86 CYP1A2 (0.37) CYP1A2ALPLHIF1AEPAS1PDE10A
SCHEMBL6078652 0.85 KMT2A (0.40) CYP1A2HIF1AEPAS1PDE10AKMT2A
SCHEMBL6078647 0.85 KMT2A (0.40) CYP1A2HIF1AEPAS1PDE10AKMT2A
SCHEMBL6400334 0.83 CYP1A2 (0.38) CYP1A2ALPLHIF1AEPAS1PDE10A
SCHEMBL6400327 0.83 CYP1A2 (0.38) CYP1A2ALPLHIF1AEPAS1PDE10A
SCHEMBL6078177 0.83 KDM4E (0.40) CYP1A2HIF1AEPAS1KMT2AKDM4E
SCHEMBL6079552 0.83 KDM4E (0.40) CYP1A2HIF1AEPAS1KMT2AKDM4E
SCHEMBL6607764 0.82 MMP2 (0.38) CYP1A2ALPLHIF1AEPAS1PDE10A
SCHEMBL6607771 0.82 MMP2 (0.38) CYP1A2ALPLHIF1AEPAS1PDE10A
SCHEMBL6609601 0.81 CYP1A2 (0.39) CYP1A2ALPLHIF1AEPAS1PDE10A

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 CYP1A2 518/4885ALPL 1845/4885HIF1A 2438/4885

“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.