SCHEMBL2200701

SCHEMBL2200701

Cc1nn(-c2cccc(C(F)(F)F)c2)c(C(C)C)c1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.55
KMT2A Q03164 3/20 0.52
NOTUM Q6P988 1/20 0.47
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
KCNJ6 P48051 1/20 0.46
KCNJ5 P48544 1/20 0.46
KCNJ3 P48549 1/20 0.46
NPY5R Q15761 9/20 0.45
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL2201603 0.87 KMT2A (0.49) POLBKMT2AMAPTSMN1; SMN2MEN1
SCHEMBL2202029 0.85 POLB (0.59) POLBKMT2ANOTUMMAPTSMN1; SMN2
SCHEMBL2199944 0.79 POLB (0.53) POLBKMT2ANOTUMMAPTSMN1; SMN2
SCHEMBL2201495 0.78 KMT2A (0.44) POLBKMT2AMEN1LMNA
SCHEMBL2198785 0.78 POLB (0.52) POLBKMT2ANOTUMMAPTSMN1; SMN2
SCHEMBL1303722 0.77 POLB (0.55) POLBKMT2ANOTUMMAPTSMN1; SMN2
SCHEMBL2200696 0.77 POLB (0.58) POLBKMT2ANOTUMSMN1; SMN2MEN1
SCHEMBL28831632 0.74 POLB (0.71) POLBKMT2ANPY5RCYP2C9
SCHEMBL31632788 0.73 POLB (0.54) POLBKMT2ANOTUMMAPTSMN1; SMN2
SCHEMBL2201286 0.73 PDE4D (0.67) POLBMAPTSMN1; SMN2KDM4ENPC1

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-7977358-B2 Pyrazol derivatives HOFFMANN-LA ROCHE INC. (US) 2011-07-12 US disclosed
EP-2182953-A2 NEW PYRAZOL DERIVATIVES F. Hoffmann-Roche AG (CH) 2010-05-12 EP disclosed
US-20090029963-A1 PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 US disclosed
WO-2009013211-A2 NEW PYRAZOL DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 WO 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-20090029963-A1 PYRAZOL DERIVATIVES CCR1, CCR3, CCRL2 POLB 4350/4885KMT2A 4057/4885NOTUM 4406/4885

“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.