SCHEMBL23012385

SCHEMBL23012385

COC(=O)Cc1c(-c2ccnc(F)c2)cccc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.41
ROCK1 Q13464 4/20 0.41
PRKACA P17612 3/20 0.41
PRKG1 Q13976 3/20 0.41
PRKACG P22612 2/20 0.41
PRKACB P22694 2/20 0.41
AKT1 P31749 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP3A4 P08684 2/20 0.40
LPAR1 Q92633 2/20 0.37
FFAR1 O14842 1/20 0.37
NLRP3 Q96P20 6/20 0.37
DHODH Q02127 1/20 0.36
CTSA P10619 1/20 0.35
DYRK1A Q13627 1/20 0.35
SYK P43405 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
SCHEMBL29691431 1.00 ROCK2 (0.41) ROCK2ROCK1PRKACAPRKG1PRKACG
SCHEMBL29757378 0.91 ROCK2 (0.36) ROCK2ROCK1PRKACAPRKG1PRKACG
SCHEMBL23013492 0.89 ROCK2 (0.45) ROCK2ROCK1PRKACAPRKG1PRKACG
SCHEMBL29691436 0.87 CTSA (0.42) ROCK2ROCK1PRKACAPRKG1PRKACG
SCHEMBL23012645 0.87 CTSA (0.42) ROCK2ROCK1PRKACAPRKG1PRKACG
SCHEMBL21962081 0.86 NLRP3 (0.46) CYP3A4LPAR1NLRP3CTSA
SCHEMBL23012260 0.84 SMN1; SMN2 (0.44) ROCK2ROCK1PRKACAPRKG1PRKACG
SCHEMBL29691441 0.84 SMN1; SMN2 (0.44) ROCK2ROCK1PRKACAPRKG1PRKACG
SCHEMBL23012235 0.81 ROCK2 (0.40) ROCK2ROCK1PRKACAPRKG1PRKACG
SCHEMBL29691382 0.81 ROCK2 (0.40) ROCK2ROCK1PRKACAPRKG1PRKACG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389031-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2022-12-08 US disclosed
US-20220389031-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2022-12-08 US disclosed
EP-4013762-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS Inflazome Limited (IE) 2022-06-22 EP disclosed
CN-114555609-A Macrocyclic sulfonamide derivatives useful as NLRP3 inhibitors 英夫拉索姆有限公司 2022-05-27 CN disclosed
WO-2021032588-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2021-02-25 WO disclosed
WO-2021032588-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS INFLAZOME LIMITED (IE) 2021-02-25 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-20220389031-A1 MACROCYCLIC SULFONYLAMIDE DERIVATIVES USEFUL AS NLRP3 INHIBITORS NLRP3, NOD1, PYCARD ROCK2 4438/4885ROCK1 4337/4885PRKACA 2556/4885

“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.