SCHEMBL26732911

SCHEMBL26732911

COC(=O)Cn1nc(C(C)C)c2cc(C(F)(F)F)ccc2c1=O

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 3/20 0.63
▸ TSHR P16473 1/20 0.46
▸ GPR139 Q6DWJ6 7/20 0.45
▸ AKR1B1 P15121 6/20 0.41
▸ MAPT P10636 1/20 0.40
▸ AURKA O14965 1/20 0.39

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
SCHEMBL29426566 1.00 NLRP3 (0.63) NLRP3TSHRGPR139AKR1B1MAPT
SCHEMBL29426464 0.96 NLRP3 (0.58) NLRP3TSHRGPR139AKR1B1MAPT
SCHEMBL26630481 0.91 NLRP3 (0.53) NLRP3TSHRGPR139AKR1B1MAPT
SCHEMBL24076307 0.89 NLRP3 (0.58) NLRP3GPR139
SCHEMBL30168567 0.89 NLRP3 (0.64) NLRP3GPR139AKR1B1
SCHEMBL24076327 0.89 NLRP3 (0.64) NLRP3GPR139AKR1B1
SCHEMBL24076964 0.87 NLRP3 (0.68) NLRP3GPR139AKR1B1MAPT
SCHEMBL24076302 0.86 NLRP3 (0.62) NLRP3GPR139AKR1B1MAPTAURKA
SCHEMBL29426614 0.85 NLRP3 (0.47) NLRP3TSHRGPR139
SCHEMBL26732715 0.85 NLRP3 (0.47) NLRP3TSHRGPR139

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-20230357162-A1 COMPOUNDS, COMPOSITIONS AND METHODS TENVIE THERAPEUTICS, INC. 2023-11-09 — — 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-20230357162-A1 COMPOUNDS, COMPOSITIONS AND METHODS NLRP3, NLRP1, NOD1 NLRP3 1/4885TSHR 4284/4885GPR139 946/4885

“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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