SCHEMBL4614826

SCHEMBL4614826

CCCCn1c(=O)[nH]c(=O)c2[nH]c(C(Cc3ccccc3F)c3ccc(S(=O)(=O)Nc4cccnc4)cc3)nc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADORA2B P29275 2/20 0.39
ADRB2 P07550 5/20 0.39
ADRB1 P08588 5/20 0.39
ADRB3 P13945 4/20 0.39
PCK1 P35558 3/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.36
ADORA2A P29274 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL4612939 0.92 PCK1 (0.40) HTTSMN1; SMN2ADORA2BADRB2ADRB1
SCHEMBL4614552 0.91 PCK1 (0.44) HTTSMN1; SMN2ADORA2BPCK1KMT2A
SCHEMBL4614662 0.90 PCK1 (0.42) HTTSMN1; SMN2ADORA2BPCK1KMT2A
SCHEMBL4615595 0.89 PCK1 (0.42) HTTSMN1; SMN2ADORA2BPCK1KMT2A
SCHEMBL4613758 0.89 MEN1 (0.40) HTTSMN1; SMN2CYP3A4CYP2D6CYP2C9
SCHEMBL4614819 0.89 PCK1 (0.43) HTTSMN1; SMN2ADORA2BPCK1KMT2A
SCHEMBL4614787 0.89 PCK1 (0.41) HTTSMN1; SMN2ADORA2BPCK1KMT2A
SCHEMBL4614679 0.89 PCK1 (0.44) HTTSMN1; SMN2ADORA2BADRB2ADRB1
SCHEMBL4613809 0.89 PCK1 (0.41) HTTSMN1; SMN2ADORA2BPCK1KMT2A
SCHEMBL4614488 0.88 KDM4E (0.39) HTTSMN1; SMN2TSHRADORA2BPCK1

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 HTT 4675/4885SMN1; SMN2 1670/4885CYP1A2 169/4885

“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.