SCHEMBL24077148

SCHEMBL24077148

CCOC(=O)Cn1nc(C(C)C)c2cc(C3CC3(F)F)ccc2c1=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.45
▸ CYP2C19 P33261 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ NLRP3 Q96P20 4/20 0.42
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ LMNA P02545 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
SCHEMBL30231023 1.00 GAA (0.45) GAACYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL24077026 0.88 NLRP3 (0.46) NLRP3KMT2APOLBHTT
SCHEMBL24076986 0.86 GAA (0.48) GAACYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL24076331 0.84 CYP2C19 (0.47) GAACYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL30231190 0.84 CYP2C19 (0.47) GAACYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL24076280 0.84 GAA (0.47) GAACYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL24076962 0.83 GAA (0.52) GAACYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL25746184 0.82 GAA (0.53) GAACYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL24076867 0.81 GAA (0.52) GAACYP2C19CYP1A2CYP3A4CYP2C9
SCHEMBL30231463 0.81 GAA (0.52) GAACYP2C19CYP1A2CYP3A4CYP2C9

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-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — US disclosed
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 — — US disclosed
WO-2021239885-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-12-02 — — WO 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-20230202989-A1 COMPOUNDS NLRP3, NLRP1, IL1B GAA 4369/4885CYP2C19 604/4885CYP1A2 373/4885

“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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