SCHEMBL21029611

SCHEMBL21029611

Cc1ccc(C[C@H](N)C(=O)OC(C)(C)C)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 2/20 0.45
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
EGFR P00533 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ALOX15 P16050 1/20 0.36
PTGS1 P23219 1/20 0.36
HTR2A P28223 1/20 0.36
PTGS2 P35354 1/20 0.36
RECQL P46063 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PTPN1 P18031 3/20 0.36
LTA4H P09960 1/20 0.35
BACE1 P56817 1/20 0.35
APP P05067 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
SCHEMBL21029427 0.89 SLC7A5 (0.45) SLC7A5ALDH1A1KDM4EUSP2EGFR
SCHEMBL21029376 0.87 SLC7A5 (0.48) SLC7A5ALDH1A1KDM4EUSP2EGFR
SCHEMBL30191722 0.85 SLC7A5 (0.44) SLC7A5ALDH1A1KDM4EUSP2EGFR
SCHEMBL19088473 0.85 SLC7A5 (0.44) SLC7A5ALDH1A1KDM4EUSP2EGFR
SCHEMBL18256468 0.85 SLC7A5 (0.44) SLC7A5ALDH1A1KDM4EUSP2EGFR
SCHEMBL29551946 0.85 SLC7A5 (0.44) SLC7A5ALDH1A1KDM4EUSP2EGFR
SCHEMBL18481064 0.85 APP (0.38) SLC7A5ALOX15PTPN1APPHDAC1
SCHEMBL5363551 0.85 ALDH1A1 (0.51) SLC7A5ALDH1A1KDM4EUSP2EGFR
Hydrochloric Acid SCHEMBL5363548 0.83 ALDH1A1 (0.53) SLC7A5ALDH1A1KDM4EUSP2EGFR
Hydrochloric Acid SCHEMBL27466206 0.83 ALDH1A1 (0.53) SLC7A5ALDH1A1KDM4EUSP2EGFR

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-10301286-B2 Piperazine derivative ASTELLAS PHARMA INC. (JP) 2019-05-28 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-10301286-B2 Piperazine derivative GPR4, MC4R, TRPC4 SLC7A5 2250/4885ALDH1A1 2695/4885KDM4E 1279/4885

“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.