SCHEMBL30168562

SCHEMBL30168562

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

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 11/20 0.47
NLRP3 Q96P20 2/20 0.46
ALOX15 P16050 2/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL24077200 1.00 AKR1B1 (0.47) AKR1B1NLRP3ALOX15POLBMEN1
SCHEMBL25747887 0.83 AKR1B1 (0.42) AKR1B1NLRP3ALOX15POLBMAPT
SCHEMBL24076315 0.82 ALOX15 (0.64) AKR1B1NLRP3ALOX15
SCHEMBL24076971 0.82 AKR1B1 (0.47) AKR1B1NLRP3ALOX15POLBMAPT
SCHEMBL24076912 0.82 AKR1B1 (0.52) AKR1B1NLRP3ALOX15
SCHEMBL25746237 0.82 RAB9A (0.53) AKR1B1ALOX15POLBMEN1KMT2A
SCHEMBL30168567 0.81 NLRP3 (0.64) AKR1B1NLRP3ALOX15
SCHEMBL24076327 0.81 NLRP3 (0.64) AKR1B1NLRP3ALOX15
SCHEMBL27164166 0.81 AKR1B1 (0.47) AKR1B1NLRP3ALOX15MAPT
SCHEMBL25747845 0.81 NLRP3 (0.56) AKR1B1NLRP3ALOX15MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230202989-A1 COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-06-29 US disclosed
CN-115667225-A Compound (I) 詹森药业有限公司 2023-01-31 CN 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 AKR1B1 162/4885NLRP3 1/4885ALOX15 289/4885

“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.