SCHEMBL19725939

SCHEMBL19725939

Cc1ccc(S(=O)(=O)n2ccc3c(NN4CCC5CN(C(=O)OC(C)(C)C)CC5C4)ncnc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 12/20 0.42
▸ NAMPT P43490 3/20 0.41
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ HTR6 P50406 2/20 0.39
▸ BCHE P06276 1/20 0.38
▸ MMP13 P45452 1/20 0.37

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
SCHEMBL19725938 0.94 NAMPT (0.43) GPR119NAMPTCYP3A4CYP2C9HTR6
SCHEMBL17951163 0.84 GPR119 (0.43) GPR119CYP3A4CYP2C9HTR6BCHE
SCHEMBL10227674 0.83 GPR119 (0.49) GPR119NAMPTCYP3A4CYP2C9HTR6
SCHEMBL10228635 0.82 GPR119 (0.55) GPR119CYP3A4CYP2C9HTR6BCHE
SCHEMBL6128795 0.82 GPR119 (0.55) GPR119CYP3A4CYP2C9HTR6BCHE
SCHEMBL17583115 0.82 GPR119 (0.60) GPR119CYP3A4CYP2C9HTR6MMP13
SCHEMBL17951145 0.82 MAP4K4 (0.41) GPR119NAMPTHTR6BCHE
SCHEMBL6128886 0.81 GPR119 (0.49) GPR119CYP3A4CYP2C9HTR6BCHE
SCHEMBL2728373 0.81 GPR119 (0.49) GPR119CYP3A4CYP2C9HTR6BCHE
SCHEMBL17545832 0.81 GPR119 (0.49) GPR119CYP3A4CYP2C9HTR6BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170360794-A1 JAK INHIBITOR Wuxi Fortune Pharmaceutical Co., Ltd (CN) 2017-12-21 — — US disclosed
US-20170360794-A1 JAK INHIBITOR Wuxi Fortune Pharmaceutical Co., Ltd (CN) 2017-12-21 — — 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-20170360794-A1 JAK INHIBITOR JAK2, JAK1, JAK3 GPR119 1493/4885NAMPT 1808/4885CYP3A4 1868/4885

“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.

Send feedback