SCHEMBL2021841

SCHEMBL2021841

Cc1ccc(S(=O)(=O)N2CCC(n3ncc4c(Oc5ccc(S(C)(=O)=O)cc5)ncnc43)CC2)cc1

nearest known ligand 0.67

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.67
CCR6 P51684 2/20 0.43
TSHR P16473 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GPR119 Q8TDV5 8/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
EBP Q15125 1/20 0.40
DHCR7 Q9UBM7 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP1A2 P05177 1/20 0.39
GAA P10253 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL2017732 0.89 CYP3A4 (0.69) CYP3A4GPR119CYP2C9
SCHEMBL1129277 0.85 CYP3A4 (0.64) CYP3A4GPR119CYP2C9
SCHEMBL4368644 0.84 CYP3A4 (0.68) CYP3A4GPR119CYP2C9
SCHEMBL9006352 0.84 CYP3A4 (0.79) CYP3A4GPR119CYP2C9
SCHEMBL2019784 0.84 CYP3A4 (0.79) CYP3A4GPR119CYP2C9
SCHEMBL1128588 0.84 CYP3A4 (0.70) CYP3A4GPR119CYP2C9
SCHEMBL1128844 0.83 CYP3A4 (0.84) CYP3A4GPR119CYP2C9
SCHEMBL2022629 0.83 CYP3A4 (0.64) CYP3A4ALDH1A1GPR119MAPTCYP2C9
SCHEMBL1128328 0.83 CYP3A4 (0.80) CYP3A4KDM4EALDH1A1GPR119CYP2C9
SCHEMBL1128407 0.82 CYP3A4 (0.79) CYP3A4GPR119CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110160222-A1 MODULATORS OF GLUCOSE HOMEOSTASIS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. 2011-06-30 US claimed
US-20110160222-A1 MODULATORS OF GLUCOSE HOMEOSTASIS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. 2011-06-30 US disclosed
US-20110160222-A1 MODULATORS OF GLUCOSE HOMEOSTASIS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. 2011-06-30 US disclosed
US-20110160222-A1 MODULATORS OF GLUCOSE HOMEOSTASIS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS METABOLEX, INC. 2011-06-30 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-20110160222-A1 MODULATORS OF GLUCOSE HOMEOSTASIS FOR THE TREATMENT OF DIABETES AND METABOLIC DISORDERS GPR119, GCKR, GID4 CYP3A4 789/4885CCR6 4414/4885TSHR 304/4885

“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.