SCHEMBL21114007

SCHEMBL21114007

CN(CCCOCc1ccccc1-c1ccc(-c2nn(C)c3ccc(Br)cc23)c(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.34
SOS1 Q07889 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
LSS P48449 3/20 0.33
AAK1 Q2M2I8 1/20 0.33
HTR2C P28335 2/20 0.31
SLC6A4 P31645 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NR1H4 Q96RI1 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HTR2A P28223 1/20 0.31
BTK Q06187 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL21114177 0.94 LSS (0.37) PDK2SOS1DDB1CRBNLSS
SCHEMBL21122128 0.91 LSS (0.36) LSSMEN1KMT2ANR1H4KDM4E
SCHEMBL21114043 0.88 LSS (0.38) PDK2SOS1LSSKDM4EALOX5AP
SCHEMBL21122108 0.85 LSS (0.40) LSSMEN1KMT2ANR1H4KDM4E
SCHEMBL21113919 0.82 LSS (0.42) PDK2SOS1LSSKDM4EALOX5AP
SCHEMBL21113915 0.81 SCN9A (0.35) LSSNR1H4KDM4EALDH1A1HPGD
SCHEMBL21114023 0.81 LSS (0.43) PDK2LSSAAK1MEN1KMT2A
SCHEMBL21114080 0.80 PDK2 (0.40) PDK2DDB1CRBNHTR2CSLC6A4
SCHEMBL21113927 0.79 PDK2 (0.38) PDK2LSSMEN1KMT2AKDM4E
SCHEMBL21113933 0.75 SCN9A (0.39) LSSKDM4EALDH1A1HPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2019-07-11 US 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-20190210973-A1 COMPOUNDS AND METHODS FOR TREATMENT OF CYSTIC FIBROSIS CFTR, SLC26A4, SERPINB1 PDK2 3088/4885SOS1 2041/4885DDB1 3721/4885

“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.