SCHEMBL1010711

SCHEMBL1010711

C[C@H](N)C(=O)Nc1ccc(C(F)(F)F)cc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.50
LIPC P11150 1/20 0.50
LIPG Q9Y5X9 1/20 0.50
KDM1A O60341 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GRIK1 P39086 3/20 0.46
AKR1C3 P42330 3/20 0.46
AKR1C2 P52895 3/20 0.46
SORT1 Q99523 7/20 0.45
TAS2R14 Q9NYV8 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MPO P05164 1/20 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
SCHEMBL2080677 0.83 CCR2 (0.50) PLK1LIPCLIPGKDM1AKDM4E
SCHEMBL5127442 0.81 LIPC (0.53) PLK1LIPCLIPGKDM1AKDM4E
SCHEMBL3886155 0.81 KIF11 (0.56) PLK1LIPCLIPGKDM1AKDM4E
SCHEMBL3885198 0.81 KDM4E (0.59) PLK1LIPCLIPGKDM1AKDM4E
SCHEMBL3897253 0.80 PLK1 (0.50) PLK1LIPCLIPGKDM1AKDM4E
SCHEMBL2994470 0.80 LIPC (0.55) PLK1LIPCLIPGKDM1AKDM4E
SCHEMBL2998300 0.80 PLK1 (0.49) PLK1LIPCLIPGKDM1AKDM4E
SCHEMBL17627407 0.79 LIPC (0.60) PLK1LIPCLIPGKDM1AKDM4E
SCHEMBL2987828 0.78 LIPC (0.59) PLK1LIPCLIPGKDM1AKDM4E
SCHEMBL686710 0.78 PLK1 (0.56) PLK1LIPCLIPGKDM1AKDM4E

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-20110021525-A1 P70S6 Kinase Modulators and Method of Use EXELIXIS, INC. (US) 2011-01-27 US disclosed
US-7816353-B2 P70S6 kinase modulators and method of use EXELIXIS, INC. (US) 2010-10-19 US disclosed
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EXELIXIS, INC. 2007-09-06 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 (2 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 PLK1 287/4885LIPC 3332/4885LIPG 910/4885
US-20070208020-A1 P70S6 Kinase Modulators And Method Of Use EEF2K, RPS6KA3, MTOR PLK1 287/4885LIPC 3332/4885LIPG 910/4885

“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.