SCHEMBL20120054

SCHEMBL20120054

CC(C(=O)Nc1ccc(C(F)(F)F)cc1)n1nc(-c2csc(Cl)c2)ccc1=O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.52
MAPT P10636 6/20 0.47
POLB P06746 4/20 0.46
LMNA P02545 5/20 0.46
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2D6 P10635 2/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F11 P03951 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK1 P28482 1/20 0.37
CLPP Q16740 1/20 0.37

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
SCHEMBL21259980 0.87 MAPT (0.51) TP53MAPTPOLBLMNATHRB
SCHEMBL20113811 0.86 TP53 (0.64) TP53MAPTPOLBLMNATHRB
SCHEMBL20114216 0.85 TP53 (0.59) TP53MAPTPOLBLMNATHRB
SCHEMBL20120053 0.85 TP53 (0.47) TP53MAPTPOLBLMNATHRB
SCHEMBL20113812 0.84 TP53 (0.57) TP53MAPTPOLBLMNATHRB
SCHEMBL20120134 0.84 TP53 (0.50) TP53MAPTPOLBLMNASMN1; SMN2
SCHEMBL20120057 0.83 TP53 (0.54) TP53MAPTPOLBLMNATHRB
SCHEMBL20120159 0.83 TP53 (0.49) TP53MAPTPOLBLMNATHRB
SCHEMBL20113814 0.83 TP53 (0.73) TP53MAPTPOLBLMNATHRB
SCHEMBL20120155 0.83 TP53 (0.47) TP53MAPTPOLBLMNATHRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190248779-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2019-08-15 US disclosed
US-20190248779-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY PROTEOSTASIS THERAPEUTICS, INC. 2019-08-15 US disclosed
WO-2018081378-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR MODULATING CFTR PROTEOSTASIS THERAPEUTICS, INC. (US) 2018-05-03 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-20190248779-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR INCREASING CFTR ACTIVITY CFTR, SCNN1B, SCNN1G TP53 1387/4885MAPT 4790/4885POLB 417/4885

“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.