SCHEMBL20120131

SCHEMBL20120131

CC(C(=O)Nc1ccc(C(F)(F)F)cc1)n1nc(-c2cnc(Cl)s2)ccc1=O

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
POLB P06746 2/20 0.43
MAPT P10636 3/20 0.41
AHR P35869 1/20 0.41
LMNA P02545 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HIF1A Q16665 1/20 0.39
NR3C1 P04150 3/20 0.38
TRPV1 Q8NER1 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KCNQ3 O43525 1/20 0.36
KCNQ2 O43526 1/20 0.36
KCNE1 P15382 1/20 0.36
KCNQ1 P51787 1/20 0.36

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
SCHEMBL20120159 0.88 TP53 (0.49) TP53POLBMAPTAHRLMNA
SCHEMBL20120050 0.86 TP53 (0.51) TP53POLBMAPTAHRLMNA
SCHEMBL20113811 0.85 TP53 (0.64) TP53POLBMAPTLMNATRPV1
SCHEMBL20114216 0.84 TP53 (0.59) TP53POLBMAPTLMNASMN1; SMN2
SCHEMBL20120053 0.84 TP53 (0.47) TP53POLBMAPTLMNASMN1; SMN2
SCHEMBL20120048 0.83 TP53 (0.53) TP53POLBMAPTLMNAMEN1
SCHEMBL20120134 0.83 TP53 (0.50) TP53POLBMAPTAHRLMNA
SCHEMBL20120155 0.82 TP53 (0.47) TP53POLBMAPTAHRLMNA
SCHEMBL20113814 0.82 TP53 (0.73) TP53POLBMAPTLMNAMEN1
SCHEMBL21245460 0.81 TP53 (0.48) TP53POLBMAPTAHRLMNA

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 1387/4885POLB 417/4885MAPT 4790/4885

“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.