SCHEMBL21163804

SCHEMBL21163804

CN(CCCOc1ccc(Br)c(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.49
LSS P48449 3/20 0.39
GPR119 Q8TDV5 2/20 0.39
SSTR4 P31391 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
KDM4E B2RXH2 3/20 0.37
KAT6A Q92794 1/20 0.37
KAT5 Q92993 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
LTA4H P09960 1/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL21114101 0.96 PDK2 (0.48) PDK2LSSGPR119SSTR4KMT2A
SCHEMBL21113995 0.95 PDK2 (0.48) PDK2LSSGPR119SSTR4KMT2A
SCHEMBL21114051 0.95 PDK2 (0.48) PDK2LSSGPR119SSTR4KMT2A
SCHEMBL21163144 0.94 PDK2 (0.46) PDK2LSSGPR119SSTR4KMT2A
SCHEMBL21163677 0.94 PDK2 (0.55) PDK2LSSGPR119SSTR4KMT2A
SCHEMBL21163440 0.91 PDK2 (0.48) PDK2LSSGPR119SSTR4KMT2A
SCHEMBL2134426 0.86 PDK2 (0.47) PDK2SSTR4KMT2ATHRATHRB
SCHEMBL21114076 0.84 KDM4E (0.47) PDK2LSSKMT2AMEN1THRA
SCHEMBL31033464 0.82 PDK2 (0.46) PDK2GPR119KMT2AMEN1KDM4E
SCHEMBL21601209 0.81 PDK2 (0.57) PDK2GPR119KDM4EKAT6AKAT5

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 438/4885GPR119 1765/4885

“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.