SCHEMBL3940169

SCHEMBL3940169

CCOC(=O)C(=O)C1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MAPT P10636 2/20 0.41
RECQL P46063 1/20 0.40
GAA P10253 3/20 0.39
ALDH1A1 P00352 6/20 0.38
LMNA P02545 2/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PPM1B O75688 1/20 0.35
PTPN1 P18031 1/20 0.35
PPP1CC P36873 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
L3MBTL1 Q9Y468 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
SCHEMBL6642281 0.86 MAPT (0.47) TSHRMAPTRECQLGAAALDH1A1
SCHEMBL1126496 0.83 TSHR (0.37) TSHRMAPTRECQLGAAALDH1A1
SCHEMBL165885 0.82 ALDH1A1 (0.49) MAPTGAAALDH1A1POLBKMT2A
SCHEMBL873425 0.82 ALDH1A1 (0.44) MAPTGAAALDH1A1LMNARAB9A
SCHEMBL17075159 0.81 TSHR (0.41) TSHRMAPTRECQLGAAALDH1A1
SCHEMBL534242 0.80 CES2 (0.52) MAPTGAAALDH1A1POLBHPGD
SCHEMBL72855 0.80 MAPT (0.51) TSHRMAPTALDH1A1LMNAPOLB
SCHEMBL7638404 0.80 CES2 (0.52) MAPTGAAALDH1A1POLBHPGD
SCHEMBL7636018 0.80 CES2 (0.52) MAPTGAAALDH1A1POLBHPGD
SCHEMBL15566866 0.79 ALDH1A1 (0.40) TSHRMAPTRECQLGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230250070-A1 DIHYDROOXAZOLE AND THIOUREA DERIVATIVES MODULATING THE NLRP3 INFLAMMASOME PATHWAY AC IMMUNE SA (CH) 2023-08-10 US disclosed
US-20230250070-A1 DIHYDROOXAZOLE AND THIOUREA DERIVATIVES MODULATING THE NLRP3 INFLAMMASOME PATHWAY AC IMMUNE SA (CH) 2023-08-10 US disclosed
CN-115768754-A Dihydrooxazole and thiourea or urea derivatives that modulate NLRP3 inflammasome pathways AC免疫有限公司 2023-03-07 CN disclosed
WO-2021255279-A1 D I H YD ROOXAZO LE AND THIOUREA DERIVATIVES MODULATING THE NLRP3 INFLAMMASOME PATHWAY AC IMMUNE SA (CH) 2021-12-23 WO disclosed
US-20160319312-A1 SYNTHESIS METHOD FOR L-CYCLIC ALKYL AMINO ACID AND PHARMACEUTICAL COMPOSITION HAVING THEREOF TIANJIN ASYMCHEM PHARMACEUTICAL CO., LTD. (CN) 2016-11-03 US disclosed
US-20160319312-A1 SYNTHESIS METHOD FOR L-CYCLIC ALKYL AMINO ACID AND PHARMACEUTICAL COMPOSITION HAVING THEREOF TIANJIN ASYMCHEM PHARMACEUTICAL CO., LTD. (CN) 2016-11-03 US disclosed
US-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 US disclosed
WO-2009106599-A2 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-09-03 WO disclosed
EP-2044059-A1 2,5-DISUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2009-04-08 EP disclosed
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 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 (3 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-20160319312-A1 SYNTHESIS METHOD FOR L-CYCLIC ALKYL AMINO ACID AND PHARMACEUTICAL COMPOSITION HAVING THEREOF ADH1B, BCAT2, BCAT1 TSHR 3244/4885MAPT 3553/4885RECQL 1525/4885
US-20090306062-A1 2,5-Disubstituted Piperidines REN, AGTR1, AGTR2 TSHR 853/4885MAPT 4007/4885RECQL 568/4885
US-20230250070-A1 DIHYDROOXAZOLE AND THIOUREA DERIVATIVES MODULATING THE NLRP3 INFLAMMASOME PATHWAY NLRP3, NOD1, NLRP1 TSHR 2430/4885MAPT 2088/4885RECQL 1983/4885

“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.