SCHEMBL22013484

SCHEMBL22013484

COc1cc(-c2ccc3c(c2C(C)C)CCC3)ccn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 3/20 0.43
ACVR2A P27037 4/20 0.40
TGFBR2 P37173 4/20 0.40
TLR9 Q9NR96 4/20 0.39
TLR8 Q9NR97 4/20 0.39
TLR7 Q9NYK1 4/20 0.39
KDM5A P29375 1/20 0.39
DYRK1A Q13627 1/20 0.38
AAK1 Q2M2I8 2/20 0.37
CYP3A4 P08684 1/20 0.36
NR4A2 P43354 1/20 0.36
DHODH Q02127 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
S1PR1 P21453 1/20 0.36
TGFBR1 P36897 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE7A Q13946 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
SCHEMBL22193551 0.83 NLRP3 (0.47) NLRP3ACVR2ATGFBR2DYRK1ANR4A2
SCHEMBL29618054 0.82 NLRP3 (0.44) NLRP3ACVR2ATGFBR2DYRK1AAAK1
SCHEMBL20634530 0.82 NLRP3 (0.44) NLRP3ACVR2ATGFBR2DYRK1AAAK1
SCHEMBL23063345 0.82 NLRP3 (0.47) NLRP3ACVR2ATGFBR2DYRK1AAAK1
SCHEMBL22013492 0.82 PARP10 (0.43) TLR9TLR8TLR7DYRK1AAAK1
SCHEMBL25671666 0.82 NLRP3 (0.42) NLRP3ACVR2ATGFBR2DYRK1AAAK1
SCHEMBL22014926 0.81 ACVR2A (0.42) NLRP3ACVR2ATGFBR2TLR9TLR8
SCHEMBL25508130 0.81 NLRP3 (0.44) NLRP3ACVR2ATGFBR2DYRK1APDE3B
SCHEMBL23844380 0.80 NLRP3 (0.47) NLRP3ACVR2ATGFBR2DYRK1ANR4A2
SCHEMBL22827695 0.80 NLRP3 (0.51) NLRP3ACVR2ATGFBR2DYRK1ANR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018166-A1 SULFONYL UREA NLRP3 INFLAMMASOME INHIBITORS VenatoRx Pharmaceuticals, Inc. 2024-01-18 US disclosed
WO-2023230002-A1 NLRP3 INFLAMMASOME INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2023-11-30 WO disclosed
US-20230183258-A1 NLRP3 MODULATORS ZOMAGEN BIOSCIENCES LTD 2023-06-15 US disclosed
US-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-03-02 US disclosed
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-16 US disclosed
WO-2022115417-A1 SULFONYL UREA NLRP3 INFLAMMASOME INHIBITORS VenatoRx Pharmaceuticals, Inc. (US) 2022-06-02 WO disclosed
US-20210292336-A1 NLRP3 MODULATORS ZOMAGEN BIOSCIENCES LTD 2021-09-23 US disclosed
WO-2020154499-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-07-30 WO disclosed
WO-2020102576-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 WO disclosed
WO-2020102574-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 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 (6 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-20230183258-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 NLRP3 1/4885ACVR2A 4267/4885TGFBR2 3673/4885
US-20230051589-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885ACVR2A 4354/4885TGFBR2 3449/4885
US-20230063462-A1 SULFONIMIDAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885ACVR2A 4427/4885TGFBR2 4302/4885
US-20210292336-A1 NLRP3 MODULATORS NLRP3, NLRP1, NOD1 NLRP3 1/4885ACVR2A 4267/4885TGFBR2 3673/4885
US-20240018166-A1 SULFONYL UREA NLRP3 INFLAMMASOME INHIBITORS NLRP3, PYCARD, NOD1 NLRP3 1/4885ACVR2A 4811/4885TGFBR2 2707/4885
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 NLRP3 2/4885ACVR2A 4362/4885TGFBR2 3157/4885

“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.