SCHEMBL3985336

SCHEMBL3985336

CCCCn1c(Cl)cc(=O)n(Cc2ccccc2F)c1=O

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 5/20 0.48
TSHR P16473 2/20 0.48
NPC1 O15118 1/20 0.48
PCK1 P35558 6/20 0.46
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 3/20 0.42
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL3980631 0.80 L3MBTL1 (0.50) L3MBTL1ALDH1A1TSHRNPC1PCK1
SCHEMBL10502022 0.76 ADORA2A (0.44) L3MBTL1ALDH1A1TSHRCNR2
SCHEMBL4770813 0.76 L3MBTL1 (0.61) L3MBTL1ALDH1A1TSHRNPC1KDM4E
SCHEMBL3982959 0.75 PCK1 (0.56) L3MBTL1ALDH1A1TSHRNPC1PCK1
SCHEMBL19147820 0.75 KAT2B (0.47) ALDH1A1TSHRHSD17B10CNR2
SCHEMBL7847653 0.70 HPGD (0.51) L3MBTL1ALDH1A1TSHRKDM4EHTT
SCHEMBL10501065 0.70 ADORA2A (0.39) KDM4EHSD17B10
SCHEMBL31213513 0.69 HPGD (0.52) MAPTKMT2A
SCHEMBL3979221 0.69 HPGD (0.68) L3MBTL1ALDH1A1MAPTKMT2A
SCHEMBL10561978 0.68 PROKR1 (0.48) ALDH1A1KDM4EMAPTKMT2A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1515972-B1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY HOFFMANN LA ROCHE (CH) 2009-05-13 EP disclosed
EP-1515972-B1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY HOFFMANN LA ROCHE (CH) 2009-05-13 EP disclosed
EP-1599477-B1 SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS HOFFMANN LA ROCHE (CH) 2008-01-30 EP disclosed
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-7135475-B2 Antidiabetic agents HOFFMANN-LA ROCHE INC. (US) 2006-11-14 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
EP-1515972-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2005-03-23 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
US-20040014766-A1 Amide substituted xanthine derivatives HOFFMANN-LA ROCHE INC. 2004-01-22 US disclosed
WO-2003106459-A1 AMIDE SUBSTITUTED XANTHINE DERIVATIVES WITH GLUCONEOGENESIS MODULATING ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2003-12-24 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-20040014766-A1 Amide substituted xanthine derivatives GYS2, GLS2, PYGL L3MBTL1 3028/4885ALDH1A1 297/4885TSHR 1344/4885
US-20040192708-A1 Sulfonamide substituted xanthine derivatives GYS2, SLC5A1, SLC5A2 L3MBTL1 3644/4885ALDH1A1 277/4885TSHR 1259/4885

“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.