SCHEMBL963549

SCHEMBL963549

C[C@](N)(CCCCNC(=O)OCc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.50
RXFP1 Q9HBX9 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
TRPV4 Q9HBA0 1/20 0.44
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
TGM2 P21980 1/20 0.44
PPIA P62937 1/20 0.44
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43

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
SCHEMBL963655 0.79 SIRT2 (0.56) MGLLTGM2
SCHEMBL964433 0.79 ALDH1A1 (0.51) ALDH1A1HPGDCYP3A4CYP2C9CYP2C19
SCHEMBL19688778 0.78 MGLL (0.76) MGLLRXFP1ALDH1A1HPGDHTT
SCHEMBL20029049 0.74 MGLL (0.59) MGLLRXFP1ALDH1A1HPGDHTT
SCHEMBL11930103 0.74 HTT (0.65) HTTLMNATGM2MAPT
SCHEMBL21981813 0.73 MGLL (0.58) MGLLALDH1A1MAPTRAB9A
SCHEMBL21981809 0.73 MGLL (0.58) MGLLALDH1A1MAPTRAB9A
SCHEMBL8060373 0.73 HTT (0.63) HTTLMNATGM2MAPT
SCHEMBL13068374 0.73 TGM2 (0.64) HTTLMNATGM2MAPT
SCHEMBL15603508 0.72 MGLL (0.67) MGLLALDH1A1MEN1MAPTKMT2A

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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EEF2K, RPS6KA3, MTOR MGLL 4218/4885RXFP1 3233/4885ALDH1A1 4491/4885

“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.