SCHEMBL10003000

SCHEMBL10003000

CCOC(=O)c1cc2cc(C3CCN(C(=O)OC(C)(C)C)CC3)c(C(F)(F)F)cc2n1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 4/20 0.49
▸ NOD1 Q9Y239 4/20 0.49
▸ GPR119 Q8TDV5 4/20 0.43
▸ KDM4E B2RXH2 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ TSHR P16473 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MMP13 P45452 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ HPGD P15428 2/20 0.40
▸ RORC P51449 1/20 0.39
▸ SFRP1 Q8N474 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL10003940 0.91 NOD2 (0.51) NOD2NOD1GPR119KDM4ELMNA
SCHEMBL10003547 0.87 NOD2 (0.52) NOD2NOD1KDM4ELMNATSHR
SCHEMBL10004188 0.86 NOD2 (0.54) NOD2NOD1KDM4ELMNATSHR
SCHEMBL10003307 0.85 NOD2 (0.55) NOD2NOD1GPR119KDM4ELMNA
SCHEMBL10003656 0.82 NOD2 (0.49) NOD2NOD1GPR119KDM4ELMNA
SCHEMBL18332161 0.81 GPR119 (0.47) NOD2NOD1GPR119MMP13KMT2A
SCHEMBL18332388 0.81 MMP13 (0.43) NOD2NOD1GPR119MMP13MEN1
SCHEMBL11905000 0.78 NOD2 (0.56) NOD2NOD1KDM4ELMNATSHR
SCHEMBL10003359 0.78 GPR119 (0.46) GPR119MMP13TP53
SCHEMBL10002631 0.77 NOD2 (0.62) NOD2NOD1KDM4ELMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471786-B1 AMINOPYRAZOLE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2015-11-04 — — EP disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-9102692-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2015-08-11 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE F. HOFFMANN-LA ROCHE AG (CH) 2014-10-23 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-8829199-B2 Aminopyrazole derivative CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2014-09-09 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
US-20120208811-A1 Aminopyrazole Derivative F. HOFFMANN-LA ROCHE AG (CH) 2012-08-16 — — US disclosed
EP-2471786-A1 AMINOPYRAZOLE DERIVATIVE Chugai Seiyaku Kabushiki Kaisha (JP) 2012-07-04 — — EP 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-20120208811-A1 Aminopyrazole Derivative FGFR1, FGFR3, FGFR4 NOD2 2641/4885NOD1 1738/4885GPR119 1153/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 NOD2 2443/4885NOD1 1110/4885GPR119 1626/4885

“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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