SCHEMBL4612952

SCHEMBL4612952

COC(=O)Cc1ccc(N(C)C(=O)OC(C)(C)C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.47
CYP4A11 Q02928 1/20 0.47
PAX8 Q06710 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
NR1H4 Q96RI1 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
NOTUM Q6P988 1/20 0.39
HSP90AB1 P08238 1/20 0.39
HTT P42858 1/20 0.38
MAPK1 P28482 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BRD4 O60885 1/20 0.38
CREBBP Q92793 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
SCHEMBL4615305 0.85 NR1H4 (0.56) PAX8LMNANR1H4ALDH1A1GAA
SCHEMBL15725251 0.83 BRD4 (0.46) CYP4F2CYP4A11PAX8SMN1; SMN2LMNA
SCHEMBL8018111 0.82 PAX8 (0.55) PAX8SMN1; SMN2LMNAMAPTGAA
SCHEMBL17114422 0.82 CYP4F2 (0.50) CYP4F2CYP4A11SMN1; SMN2LMNAMAPT
SCHEMBL7531272 0.81 PAX8 (0.50) PAX8SMN1; SMN2LMNANR1H4GAA
SCHEMBL16197281 0.81 PAX8 (0.50) PAX8SMN1; SMN2LMNANR1H4ALDH1A1
SCHEMBL13674397 0.80 PAX8 (0.49) PAX8SMN1; SMN2LMNANR1H4GAA
SCHEMBL16856539 0.80 PAX8 (0.49) PAX8SMN1; SMN2LMNANR1H4GAA
SCHEMBL14090333 0.80 PAX8 (0.49) PAX8SMN1; SMN2LMNAMAPTNR1H4
SCHEMBL25960281 0.80 PAX8 (0.49) PAX8SMN1; SMN2LMNANR1H4GAA

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
EP-1599477-B1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-30 EP disclosed
US-7148229-B2 Sulfonamide substituted xanthine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-12-12 US disclosed
EP-1599477-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-11-30 EP disclosed
US-20040192708-A1 Sulfonamide substituted xanthine derivatives DUNTEN PETER W (US) 2004-09-30 US disclosed
WO-2004074288-A1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-09-02 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-20040192708-A1 Sulfonamide substituted xanthine derivatives GYS2, SLC5A1, SLC5A2 CYP4F2 87/4885CYP4A11 105/4885PAX8 2905/4885

“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.