SCHEMBL22011739

SCHEMBL22011739

Cc1sc(C(C)(C)O)cc1F

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.34
PTGS1 P23219 1/20 0.34

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
SCHEMBL20844037 0.82 MRGPRX1 (0.33)
SCHEMBL22020498 0.80 SYK (0.30)
SCHEMBL13902265 0.77 MPL (0.33)
SCHEMBL20698769 0.77 PTGS2 (0.36) PTGS2PTGS1
SCHEMBL22020943 0.77 PTGS2 (0.33) PTGS2PTGS1
SCHEMBL22010266 0.74 PTGS2 (0.31) PTGS2PTGS1
SCHEMBL22020918 0.74 PTGS2 (0.35) PTGS2PTGS1
SCHEMBL24978779 0.71 PTGS2 (0.31) PTGS2PTGS1
SCHEMBL20698783 0.71 PTGS2 (0.48) PTGS2PTGS1
SCHEMBL21962110 0.71 PTGS2 (0.33) PTGS2PTGS1

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
EP-3658538-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-04-19 EP disclosed
US-20220411392-A1 Amide Derivative And Preparation Method Therefore And Use Thereof In Medicine CHENGDU BAIYU PHARMACEUTICAL CO., LTD. (CN) 2022-12-29 US disclosed
WO-2021093820-A1 AMIDE DERIVATIVE AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE 成都百裕制药股份有限公司 2021-05-20 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
WO-2020102096-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS INFLAMMASOME RESEARCH, INC. (US) 2020-05-22 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

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-20220411392-A1 Amide Derivative And Preparation Method Therefore And Use Thereof In Medicine NLRP3, NLRP1, PYCARD PTGS2 3050/4885PTGS1 2314/4885

“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.