SCHEMBL4614856

SCHEMBL4614856

Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(C(C(=O)O)C(=O)OC(Cc2ccccc2)c2ccccc2)nc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.41
SGK1 O00141 4/20 0.40
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALDH1A1 P00352 1/20 0.36
MCL1 Q07820 1/20 0.34
PCK1 P35558 2/20 0.34
CCR2 P41597 1/20 0.34
BCL2 P10415 1/20 0.33
BCL2L1 Q07817 1/20 0.33
GRIN2B Q13224 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1I2 O75469 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
SCHEMBL4613416 0.70 SRR (0.37) CYP1A2
SCHEMBL4615415 0.67 NPC1 (0.42) SMN1; SMN2MAPTALDH1A1MEN1KMT2A
SCHEMBL21931025 0.59 ACLY (1.00) ACLYMCL1
SCHEMBL3987709 0.59 ACLY (0.59) ACLYSGK1LMNASMN1; SMN2CYP1A2
SCHEMBL22000185 0.59 ACLY (0.83) ACLYMCL1CCR2
SCHEMBL14721124 0.58 MCL1 (0.47) ACLYSGK1LMNACYP1A2CYP3A4
SCHEMBL3811336 0.58 ACLY (0.61) ACLYCYP2C9MCL1CCR2
SCHEMBL27726511 0.58 EPHX1 (0.52) SMN1; SMN2CYP1A2ALDH1A1
SCHEMBL21930952 0.57 ACLY (1.00) ACLY
SCHEMBL3206845 0.57 CYP1A2 (0.46) CYP1A2KMT2A

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 ACLY 393/4885SGK1 461/4885LMNA 4064/4885

“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.