SCHEMBL4613758

SCHEMBL4613758

CCCCn1c(=O)[nH]c(=O)c2[nH]c(C(Cc3ccccc3F)c3ccc(S(=O)(=O)Nc4ncccn4)cc3)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PCK1 P35558 4/20 0.38
▸ ADORA2A P29274 3/20 0.38
▸ ADORA2B P29275 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CYP2C9 P11712 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
SCHEMBL4614488 0.94 KDM4E (0.39) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL4612939 0.91 PCK1 (0.40) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL4614552 0.91 PCK1 (0.44) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL4614662 0.90 PCK1 (0.42) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL4612977 0.90 SCN1A (0.41) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL4615595 0.90 PCK1 (0.42) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL4614826 0.89 HTT (0.41) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL4614819 0.89 PCK1 (0.43) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL4614787 0.89 PCK1 (0.41) MEN1KMT2AKDM4EALDH1A1HTT
SCHEMBL4614679 0.89 PCK1 (0.44) MEN1KMT2AKDM4EALDH1A1HTT

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 claimed
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 MEN1 3211/4885KMT2A 2608/4885KDM4E 2503/4885

“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.

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