SCHEMBL10002651

SCHEMBL10002651

CCOC(=O)c1cc2cc(OCCOC)ccc2n1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOD2 Q9HC29 6/20 0.66
▸ NOD1 Q9Y239 6/20 0.66
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPT P10636 4/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MAOA P21397 1/20 0.42
▸ PSEN1 P49768 1/20 0.42
▸ PSEN2 P49810 1/20 0.42
▸ APH1B Q8WW43 1/20 0.42
▸ NCSTN Q92542 1/20 0.42
▸ APH1A Q96BI3 1/20 0.42
▸ PSENEN Q9NZ42 1/20 0.42
▸ LGALS8 O00214 1/20 0.41
▸ LGALS3 P17931 1/20 0.41
▸ ALOX5 P09917 1/20 0.40
▸ TDP1 Q9NUW8 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
SCHEMBL11927346 0.92 NOD2 (0.68) NOD2NOD1L3MBTL1LMNATSHR
SCHEMBL10003842 0.85 NOD2 (0.69) NOD2NOD1L3MBTL1LMNATSHR
SCHEMBL10003567 0.84 NOD2 (0.63) NOD2NOD1L3MBTL1LMNATSHR
SCHEMBL10004464 0.83 NOD2 (0.45) NOD2NOD1L3MBTL1LMNATSHR
SCHEMBL10004286 0.82 NOD2 (0.75) NOD2NOD1L3MBTL1LMNATSHR
SCHEMBL6955990 0.81 NOD2 (0.73) NOD2NOD1L3MBTL1LMNATSHR
SCHEMBL10002875 0.80 NOD2 (0.72) NOD2NOD1L3MBTL1LMNATSHR
SCHEMBL29567743 0.80 NOD2 (1.00) NOD2NOD1L3MBTL1LMNATSHR
SCHEMBL6894539 0.80 NOD2 (1.00) NOD2NOD1L3MBTL1LMNATSHR
SCHEMBL31159349 0.79 NOD2 (0.61) NOD2NOD1MEN1KMT2AMAOA

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-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-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-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 1738/4885L3MBTL1 2350/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 NOD2 2443/4885NOD1 1110/4885L3MBTL1 3032/4885

“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