SCHEMBL24198770

SCHEMBL24198770

CCC(C)(C)C(=O)c1ccnc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 1/20 0.41
▸ TAS1R1 Q7RTX1 1/20 0.41
▸ TAS1R2 Q8TE23 1/20 0.41
▸ PFKFB3 Q16875 1/20 0.36
▸ LOXL2 Q9Y4K0 1/20 0.36
▸ RIPK1 Q13546 10/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ BRAF P15056 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL13875969 0.83 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2PFKFB3LOXL2
SCHEMBL24198772 0.82 TAS1R3 (0.38) TAS1R3TAS1R1TAS1R2PFKFB3LOXL2
SCHEMBL24198786 0.81 TAS1R3 (0.42) TAS1R3TAS1R1TAS1R2LOXL2RIPK1
SCHEMBL24198783 0.81 AR (0.45) RIPK1ALDH1A1LMNA
SCHEMBL27144504 0.76 TAS1R3 (0.44) TAS1R3TAS1R1TAS1R2PFKFB3LOXL2
SCHEMBL29967026 0.73 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2PFKFB3LOXL2
SCHEMBL21186726 0.73 ACHE (0.46) RIPK1POLB
SCHEMBL1437180 0.73 TAS1R3 (0.48) TAS1R3TAS1R1TAS1R2PFKFB3LOXL2
SCHEMBL12948138 0.72 MLYCD (0.42) RIPK1ALDH1A1CYP1A2
SCHEMBL13702293 0.72 TAS1R3 (0.51) TAS1R3TAS1R1TAS1R2RIPK1BRAF

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-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 — — 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-11225505-B2 Antimicrobial polymyxin derivative compounds VIP, PNKP, PEPD TAS1R3 3926/4885TAS1R1 4287/4885TAS1R2 4336/4885

“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.

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