SCHEMBL4614464

SCHEMBL4614464

CCCCn1c(=O)[nH]c(=O)c2[nH]c(C(Cc3ccccc3F)c3ccc(NS(=O)(=O)c4cccc(C(F)(F)F)c4)cc3)nc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PCK1 P35558 5/20 0.40
▸ NR3C1 P04150 1/20 0.38
▸ PGR P06401 1/20 0.38
▸ AR P10275 1/20 0.38
▸ ESR2 Q92731 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ KMT2A Q03164 4/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ PTPN2 P17706 2/20 0.36
▸ PTPN1 P18031 2/20 0.36
▸ PTPN5 P54829 2/20 0.36
▸ HSPD1 P10809 1/20 0.36
▸ HSPE1 P61604 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ PKLR P30613 1/20 0.35
▸ ADORA2B P29275 3/20 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
SCHEMBL4615996 0.93 KDM4E (0.41) PCK1ARKDM4EALDH1A1KMT2A
SCHEMBL4614552 0.92 PCK1 (0.44) PCK1KDM4EALDH1A1KMT2AMEN1
SCHEMBL4613834 0.91 PCK1 (0.42) PCK1KDM4EALDH1A1KMT2AMEN1
SCHEMBL4614650 0.91 PCK1 (0.42) PCK1PGRKDM4EALDH1A1KMT2A
SCHEMBL4614663 0.90 PCK1 (0.41) PCK1KDM4EALDH1A1KMT2AMEN1
SCHEMBL4614662 0.88 PCK1 (0.42) PCK1KDM4EALDH1A1KMT2AMEN1
SCHEMBL4615027 0.88 AR (0.39) PCK1PGRARKDM4EALDH1A1
SCHEMBL4615389 0.88 PCK1 (0.45) PCK1KDM4EALDH1A1KMT2AMEN1
SCHEMBL4614339 0.88 PCK1 (0.42) PCK1PGRKDM4EALDH1A1KMT2A
SCHEMBL4613347 0.88 PCK1 (0.42) PCK1PGRKDM4EALDH1A1KMT2A

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 7 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
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 PCK1 36/4885NR3C1 1170/4885PGR 3598/4885

“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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