SCHEMBL25827382

SCHEMBL25827382

CNS(=O)(=O)CCC(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.52
CA12 O43570 4/20 0.48
CA14 Q9ULX7 4/20 0.48
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
CA2 P00918 1/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
RECQL P46063 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
SCHEMBL28040112 0.80 TSHR (0.50) TSHRCA12CA14KMT2AMEN1
SCHEMBL17620948 0.77 TSHR (0.46) TSHRCA12CA14KMT2AMEN1
SCHEMBL17337458 0.76 APEX1 (0.52) TSHRKMT2ALMNAKDM4EALDH1A1
SCHEMBL70980 0.76 ALDH1A1 (0.43) KMT2AMEN1LMNAKDM4EALDH1A1
SCHEMBL6249700 0.76 TSHR (0.43) TSHRCA12CA14KMT2AMEN1
SCHEMBL4374105 0.76 TSHR (0.57) TSHRCA12CA14KMT2AMEN1
SCHEMBL1968935 0.76 TSHR (0.57) TSHRCA12CA14KMT2AMEN1
Hydrochloric Acid SCHEMBL25380148 0.74 APEX1 (0.50) TSHRKMT2ALMNAKDM4EALDH1A1
SCHEMBL12916982 0.74 ALDH1A1 (0.33) LMNAALDH1A1
SCHEMBL21423959 0.74 LMNA (0.44) LMNA

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-20230219963-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES PFIZER INC. (US) 2023-07-13 US disclosed
EP-3880666-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-06-28 EP 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-20230219963-A1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVES JAK3, JAK1, JAK2 TSHR 2775/4885CA12 4871/4885CA14 4844/4885

“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.