SCHEMBL24076889

SCHEMBL24076889

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.48
▸ NLRP3 Q96P20 3/20 0.47
▸ CYP2C19 P33261 3/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ TSHR P16473 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ HTT P42858 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ LMNA P02545 1/20 0.38

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
SCHEMBL24077343 0.93 CYP2C19 (0.52) GAANLRP3CYP2C19CYP2C9CYP1A2
SCHEMBL24076255 0.91 NLRP3 (0.51) GAANLRP3CYP2C19CYP2C9CYP1A2
SCHEMBL30231169 0.91 NLRP3 (0.51) GAANLRP3CYP2C19CYP2C9CYP1A2
SCHEMBL24076983 0.91 NLRP3 (0.51) GAANLRP3CYP2C19CYP2C9CYP1A2
SCHEMBL24077321 0.90 GAA (0.47) GAANLRP3CYP2C19CYP2C9CYP1A2
SCHEMBL24076307 0.89 NLRP3 (0.58) GAANLRP3CYP2C19CYP2C9CYP1A2
SCHEMBL24076927 0.88 NLRP3 (0.50) GAANLRP3CYP2C19CYP2C9CYP1A2
SCHEMBL24077043 0.87 NLRP3 (0.52) NLRP3MEN1KMT2ATSHRHTT
SCHEMBL25746184 0.85 GAA (0.53) GAANLRP3CYP2C19CYP2C9CYP1A2
SCHEMBL24076867 0.84 GAA (0.52) GAANLRP3CYP2C19CYP2C9CYP1A2

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 4369/4885NLRP3 1/4885CYP2C19 604/4885

“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.

Send feedback