SCHEMBL2200191

SCHEMBL2200191

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.57
MAPT P10636 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
NPC1 O15118 3/20 0.51
PDE4D Q08499 2/20 0.51
NPY5R Q15761 1/20 0.49
KMT2A Q03164 2/20 0.49
SCN9A Q15858 1/20 0.47
PDE4B Q07343 1/20 0.47
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALKBH1 Q13686 1/20 0.45
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
NOTUM Q6P988 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL2199384 0.87 PDE4D (0.67) RAB9AMAPTNPSR1NPC1PDE4D
SCHEMBL2203149 0.86 ALDH1A1 (0.55) RAB9AMAPTNPSR1NPC1PDE4D
SCHEMBL27920237 0.85 KMT2A (0.63) RAB9AMAPTNPSR1NPC1PDE4D
SCHEMBL2198847 0.85 NOTUM (0.47) RAB9AMAPTNPSR1NPC1NPY5R
SCHEMBL2204423 0.84 NPY5R (0.47) RAB9AMAPTNPSR1NPY5RKMT2A
SCHEMBL2201646 0.83 MEN1 (0.56) RAB9AMAPTNPSR1NPY5RKMT2A
SCHEMBL2201990 0.82 MEN1 (0.52) RAB9AMAPTNPSR1NPY5RKMT2A
SCHEMBL2202029 0.82 POLB (0.59) RAB9AMAPTNPSR1NPC1NPY5R
SCHEMBL2200196 0.81 KMT2A (0.57) RAB9AMAPTNPSR1NPC1PDE4D
SCHEMBL2199398 0.80 KMT2A (0.57) RAB9AMAPTNPSR1PDE4DNPY5R

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 5 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
CN-101765430-A Novel pyrazole derivatives HOFFMANN LA ROCHE 2010-06-30 CN 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 RAB9A 3187/4885MAPT 4214/4885NPSR1 431/4885

“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.