SCHEMBL21163144

SCHEMBL21163144

CN(CCCOCCOc1ccc(Br)c(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.46
LSS P48449 3/20 0.41
RARA P10276 1/20 0.39
RARB P10826 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SSTR4 P31391 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
KAT6A Q92794 1/20 0.35
KAT5 Q92993 1/20 0.35
DDB1 Q16531 1/20 0.34
CRBN Q96SW2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL21163804 0.94 PDK2 (0.49) PDK2LSSGPR119MEN1KMT2A
SCHEMBL21163440 0.93 PDK2 (0.48) PDK2LSSRARARARBGPR119
SCHEMBL21114101 0.91 PDK2 (0.48) PDK2LSSGPR119MEN1KMT2A
SCHEMBL21113995 0.90 PDK2 (0.48) PDK2LSSGPR119MEN1KMT2A
SCHEMBL21114051 0.90 PDK2 (0.48) PDK2LSSGPR119MEN1KMT2A
SCHEMBL21163677 0.89 PDK2 (0.55) PDK2LSSGPR119MEN1KMT2A
SCHEMBL21113959 0.85 KDM4E (0.45) LSSRARARARBMEN1KMT2A
SCHEMBL2134426 0.81 PDK2 (0.47) PDK2KMT2AKDM4EALDH1A1SSTR4
SCHEMBL21163142 0.81 PDK2 (0.42) PDK2LSSRARARARBGPR119
SCHEMBL21114076 0.79 KDM4E (0.47) PDK2LSSMEN1KMT2AKDM4E

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 3088/4885LSS 438/4885RARA 1438/4885

“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.