SCHEMBL10003371

SCHEMBL10003371

COC(=O)c1cc2ccc(C(O[SiH2]C(C)(C)C)(c3ccccc3)c3ccccc3)cc2n1S(=O)(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD2 Q9HC29 4/20 0.43
NOD1 Q9Y239 4/20 0.43
HDAC3 O15379 5/20 0.38
HDAC4 P56524 5/20 0.38
HDAC1 Q13547 5/20 0.38
HDAC7 Q8WUI4 5/20 0.38
HDAC2 Q92769 5/20 0.38
HDAC10 Q969S8 5/20 0.38
HDAC11 Q96DB2 5/20 0.38
HDAC8 Q9BY41 5/20 0.38
HDAC6 Q9UBN7 5/20 0.38
HDAC9 Q9UKV0 5/20 0.38
HDAC5 Q9UQL6 5/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
ACLY P53396 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RORC P51449 1/20 0.35

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
SCHEMBL10004821 0.84 NOD2 (0.38) NOD2NOD1HDAC3HDAC4HDAC1
SCHEMBL10004691 0.80 HPGD (0.37) NOD2NOD1HDAC3HDAC4HDAC1
SCHEMBL10002839 0.77 MEN1 (0.54) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL9617940 0.76 NOD2 (0.64) NOD2NOD1HDAC3HDAC4HDAC1
SCHEMBL18369587 0.73 PPARG (0.58) NOD2NOD1HDAC3HDAC4HDAC1
SCHEMBL18416800 0.72 NOD2 (0.59) NOD2NOD1HDAC3HDAC4HDAC1
SCHEMBL10002626 0.72 NOD1 (0.61) NOD2NOD1ALDH1A1LMNAMAPT
SCHEMBL14627380 0.71 NOD1 (0.78) NOD2NOD1HDAC3HDAC4HDAC1
SCHEMBL10003364 0.70 NOD2 (0.42) NOD2NOD1HDAC3HDAC4HDAC1
SCHEMBL16486105 0.69 NOD2 (0.58) NOD2NOD1HDAC3HDAC4HDAC1

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 1738/4885HDAC3 270/4885
US-20140315856-A1 AMINOPYRAZOLE DERIVATIVE H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, IL4I1, CYP3A43 NOD2 2443/4885NOD1 1110/4885HDAC3 62/4885

“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.