SCHEMBL6079552

SCHEMBL6079552

CO[C@@H](C)[C@H](CS(=O)(=O)Cc1cnc2ccccc2c1)NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39
FAAH O00519 10/20 0.39
ACACB O00763 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
CCR1 P32246 2/20 0.38
ACP1 P24666 1/20 0.38
CYP1A2 P05177 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL6078177 1.00 KDM4E (0.40) KDM4EKMT2ASMN1; SMN2HIF1AEPAS1
SCHEMBL6078652 0.89 KMT2A (0.40) KDM4EKMT2ASMN1; SMN2HIF1AEPAS1
SCHEMBL6078647 0.89 KMT2A (0.40) KDM4EKMT2ASMN1; SMN2HIF1AEPAS1
SCHEMBL6077240 0.88 HDAC4 (0.44) KDM4EKMT2ASMN1; SMN2FAAHACACB
SCHEMBL6077699 0.83 CYP1A2 (0.37) KDM4EKMT2ASMN1; SMN2HIF1AEPAS1
Hydrochloric Acid SCHEMBL6078291 0.80 CYP1A2 (0.41) KDM4EKMT2ASMN1; SMN2HIF1AEPAS1
SCHEMBL6606289 0.79 CYP1A2 (0.42) KDM4EKMT2ASMN1; SMN2HIF1AEPAS1
SCHEMBL6665570 0.79 KDM4E (0.40) KDM4EKMT2ASMN1; SMN2HIF1AEPAS1
SCHEMBL6078173 0.78 HIF1A (0.39) KDM4EKMT2ASMN1; SMN2HIF1AEPAS1
SCHEMBL6079545 0.78 HIF1A (0.39) KDM4EKMT2ASMN1; SMN2HIF1AEPAS1

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 3 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

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 KDM4E 3353/4885KMT2A 3267/4885SMN1; SMN2 1657/4885

“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.