SCHEMBL4613252

SCHEMBL4613252

CCCCn1c(=O)[nH]c(=O)c2[nH]c(C(Cc3ccccc3F)c3ccc(NS(=O)(=O)c4cc(OC)ccc4OC)cc3)nc21

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.39
PCK1 P35558 2/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
ALPL P05186 3/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL4614146 0.94 LMNA (0.43) KMT2ALMNAMEN1ALDH1A1KDM4E
SCHEMBL4615436 0.90 KDM4E (0.41) KMT2ALMNAMEN1ALDH1A1KDM4E
SCHEMBL6276453 0.90 MEN1 (0.42) KMT2ALMNAMEN1ALDH1A1KDM4E
SCHEMBL4614713 0.90 MEN1 (0.42) KMT2ALMNAMEN1ALDH1A1KDM4E
SCHEMBL4615652 0.88 PCK1 (0.43) KMT2ALMNAMEN1ALDH1A1KDM4E
SCHEMBL4615383 0.87 PCK1 (0.42) KMT2ALMNAMEN1ALDH1A1KDM4E
SCHEMBL4613699 0.86 PCK1 (0.43) KMT2ALMNAMEN1ALDH1A1KDM4E
SCHEMBL4615312 0.86 PCK1 (0.44) KMT2ALMNAMEN1ALDH1A1KDM4E
SCHEMBL4614552 0.86 PCK1 (0.44) KMT2ALMNAMEN1ALDH1A1KDM4E
SCHEMBL4613778 0.86 PCK1 (0.43) KMT2ALMNAMEN1ALDH1A1KDM4E

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-7148229-B2 Sulfonamide substituted xanthine derivatives HOFFMAN-LA ROCHE INC. (US) 2006-12-12 US claimed
US-20040192708-A1 Sulfonamide substituted xanthine derivatives DUNTEN PETER W (US) 2004-09-30 US claimed
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
US-20040192708-A1 Sulfonamide substituted xanthine derivatives DUNTEN PETER W (US) 2004-09-30 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-20040192708-A1 Sulfonamide substituted xanthine derivatives GYS2, SLC5A1, SLC5A2 KMT2A 2608/4885LMNA 4064/4885MEN1 3211/4885

“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.