SCHEMBL3101233

SCHEMBL3101233

COC1CCCCC1NC(=O)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 13/20 0.50
TAS1R1 Q7RTX1 12/20 0.50
TAS1R2 Q8TE23 12/20 0.50
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
CXCR2 P25025 1/20 0.37

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
SCHEMBL13156482 1.00 TAS1R3 (0.50) TAS1R3TAS1R1TAS1R2KDM4EALDH1A1
SCHEMBL3088236 0.84 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2
SCHEMBL13156474 0.84 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2
SCHEMBL13156517 0.84 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2
SCHEMBL3106294 0.84 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2
SCHEMBL4309782 0.79 TAS1R3 (0.66) TAS1R3TAS1R1TAS1R2
SCHEMBL4162795 0.79 TAS1R3 (0.66) TAS1R3TAS1R1TAS1R2
SCHEMBL4159220 0.79 TAS1R3 (0.66) TAS1R3TAS1R1TAS1R2
SCHEMBL15962708 0.74 TAS1R3 (0.72) TAS1R3TAS1R1TAS1R2KDM4EALDH1A1
SCHEMBL15956601 0.74 TAS1R3 (0.72) TAS1R3TAS1R1TAS1R2KDM4EALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7799934-B2 Intermediates (synthons) in the synthesis of pharmaceuticals such as oseltamivir and other products; treating the arizidine with the nucleophile in the presence of a biaryl phosphoric acid catalyst UNIVERSITY OF SOUTH FLORIDA (US) 2010-09-21 US disclosed
US-20090030212-A1 Enantioselective ring-opening of aziridines UNIVERSITY OF SOUTH FLORIDA OF TAMPA 2009-01-29 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-20090030212-A1 Enantioselective ring-opening of aziridines AZI2, ITPA, ADORA2A TAS1R3 4604/4885TAS1R1 4471/4885TAS1R2 4429/4885

“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.