SCHEMBL24077044

SCHEMBL24077044

CC(C)c1nn(CC(=O)O)c(=O)c2ccc(OCC(F)(F)F)cc12

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 3/20 0.50
▸ CYP2C9 P11712 2/20 0.41
▸ CYP17A1 P05093 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ALOX15 P16050 2/20 0.39
▸ AGER Q15109 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ AKR1B1 P15121 2/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ GPR139 Q6DWJ6 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ AR P10275 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL24076865 0.89 NLRP3 (0.47) NLRP3CYP2C9CYP17A1CYP2C19ALDH1A1
SCHEMBL24077038 0.87 NLRP3 (0.47) NLRP3ALOX15GPR139
SCHEMBL30168576 0.84 NLRP3 (0.47) NLRP3ALOX15ALDH1A1AKR1B1GPR139
SCHEMBL24077328 0.84 NLRP3 (0.47) NLRP3ALOX15ALDH1A1AKR1B1GPR139
SCHEMBL25749146 0.83 NLRP3 (0.48) NLRP3ALDH1A1GPR139
SCHEMBL30168567 0.83 NLRP3 (0.64) NLRP3ALOX15AKR1B1GPR139
SCHEMBL24076327 0.83 NLRP3 (0.64) NLRP3ALOX15AKR1B1GPR139
SCHEMBL24077041 0.82 NLRP3 (0.47) NLRP3ALDH1A1GPR139
SCHEMBL24077152 0.80 NLRP3 (0.56) NLRP3ALOX15AKR1B1RAB9ATSHR
SCHEMBL24077053 0.80 NLRP3 (0.56) NLRP3ALOX15AKR1B1RAB9ATSHR

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 NLRP3 1/4885CYP2C9 1568/4885CYP17A1 50/4885

“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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