SCHEMBL3577119

SCHEMBL3577119

CCN(CC(O)(CNCc1ccccc1)C(F)(F)F)C(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 8/20 0.53
HTR5A P47898 1/20 0.47
HPGD P15428 4/20 0.47
ALDH1A1 P00352 3/20 0.47
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
MLYCD O95822 2/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 2/20 0.42
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL13503412 0.85 NR3C1 (0.55) NR3C1HPGDALDH1A1HDAC1HDAC6
SCHEMBL3581456 0.80 HPGD (0.53) NR3C1HPGDALDH1A1HDAC1HDAC6
Hydrochloric Acid SCHEMBL3570672 0.79 HPGD (0.51) NR3C1HPGDALDH1A1HDAC1HDAC6
SCHEMBL13166259 0.76 MEN1 (0.53) ALDH1A1HDAC1MAPTLMNASMN1; SMN2
SCHEMBL3376434 0.76 MEN1 (0.51) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL3374486 0.72 MEN1 (0.47) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL3374663 0.72 MEN1 (0.47) ALDH1A1MAPTLMNAGAASMN1; SMN2
SCHEMBL1004019 0.71 HDAC1 (0.71) HPGDALDH1A1HDAC1HDAC6MAPT
SCHEMBL72112 0.71 HPGD (0.85) HPGDALDH1A1HDAC1HDAC6MLYCD
SCHEMBL3375864 0.70 LMNA (0.46) ALDH1A1HDAC1MAPTLMNASMN1; SMN2

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-20100035926-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2010-02-11 US disclosed
US-20100035926-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2010-02-11 US disclosed
US-20100035926-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2010-02-11 US disclosed
WO-2008074814-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS GLAXO GROUP LIMITED (GB) 2008-06-26 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-20100035926-A1 PYRAZOLE DERIVATIVES AS NON-STEROIDAL GLUCOCORTICOID RECEPTOR LIGANDS NR3C1, NR3C2, CYP11B2 NR3C1 1/4885HTR5A 782/4885HPGD 283/4885

“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.