SCHEMBL4614847

SCHEMBL4614847

Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc(C(C(=O)OCc2ccccc2)C(=O)OCc2ccccc2)nc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
ACLY P53396 2/20 0.45
SGK1 O00141 4/20 0.42
CYP1A2 P05177 3/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 2/20 0.39
CYP3A4 P08684 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
MCL1 Q07820 1/20 0.38
RECQL P46063 1/20 0.37
CCR2 P41597 1/20 0.37
PCK1 P35558 2/20 0.36
ELANE P08246 1/20 0.36
NR1I2 O75469 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL4615405 0.75 SGK1 (0.48) ACLYSGK1GAAMAPTMCL1
SCHEMBL94997 0.67 SGK1 (0.53) ACLYSGK1GAAMAPTMCL1
SCHEMBL4613407 0.66 ELANE (0.43) SMN1; SMN2LMNAGAAMAPTELANE
SCHEMBL30697568 0.63 L3MBTL1 (0.59) SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL4615407 0.62 POLB (0.47) SMN1; SMN2
SCHEMBL2303572 0.61 RXFP1 (0.62) SMN1; SMN2ACLYSGK1MCL1CCR2
SCHEMBL2158673 0.61 ACLY (0.66) ACLYMCL1CCR2
SCHEMBL5693489 0.61 LMNA (0.50) SMN1; SMN2ACLYSGK1LMNACYP3A4
SCHEMBL16594735 0.59 POLB (0.51) SMN1; SMN2LMNAMAPTMEN1KMT2A
SCHEMBL8692140 0.59 POLB (0.61) SMN1; SMN2LMNAMAPTMEN1KMT2A

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 6 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-20050209278-A1 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors PHARMACIA CORPORATION 2005-09-22 US 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 (2 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 SMN1; SMN2 1670/4885ACLY 393/4885SGK1 461/4885
US-20050209278-A1 Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors MMP1, PREP, MMP3 SMN1; SMN2 1895/4885ACLY 723/4885SGK1 3415/4885

“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.