SCHEMBL5115903

SCHEMBL5115903

CC(=O)OCC1CCC(O)CC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
PDK1 Q15118 1/20 0.35
SLC1A3 P43003 2/20 0.32
SLC1A2 P43004 2/20 0.32
SLC1A1 P43005 2/20 0.32
EPHX2 P34913 1/20 0.32
SLC18A3 Q16572 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL27823942 1.00 NLRP3 (0.39) NLRP3JAK2JAK1TYK2JAK3
SCHEMBL5115899 1.00 NLRP3 (0.39) NLRP3JAK2JAK1TYK2JAK3
SCHEMBL5696892 0.91 ALDH1A1 (0.43) NLRP3JAK2JAK1TYK2JAK3
SCHEMBL6256094 0.91
SCHEMBL17029138 0.91 ALDH1A1 (0.43) NLRP3JAK2JAK1TYK2JAK3
Hydrochloric Acid SCHEMBL28064641 0.89
SCHEMBL27803270 0.88 NLRP3 (0.37) NLRP3JAK2JAK1TYK2JAK3
SCHEMBL27823944 0.88 NLRP3 (0.37) NLRP3JAK2JAK1TYK2JAK3
SCHEMBL27803271 0.88 NLRP3 (0.37) NLRP3JAK2JAK1TYK2JAK3
SCHEMBL7186641 0.83 LMNA (0.37) NLRP3JAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9593202-B2 Polycarbonate resin composition pellets and process for manufacturing same IDEMITSU KOSAN CO., LTD. (JP) 2017-03-14 US disclosed
CN-102947310-B Fused pyridine compounds as dual modulators of the 5-HT2A and D3 receptors HOFFMAN-LA ROCHE LTD. (CH) 2015-11-25 CN disclosed
US-20140364546-A1 POLYCARBONATE RESIN COMPOSITION PELLETS AND PROCESS FOR MANUFACTURING SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-12-11 US disclosed
US-8816090-B2 Benzisoxazole derivatives PFIZER INC. (US) 2014-08-26 US disclosed
EP-1856114-B1 BENZISOXAZOLE DERIVATIVES PFIZER (US) 2014-08-20 EP disclosed
CN-102947310-A Fused pyridine compounds as dual modulators of the 5-HT2A and D3 receptors HOFFMANN LA ROCHE 2013-02-27 CN disclosed
CN-101778820-B Benzoyl-piperidine derivatives as dual modulators of the 5-ht2a and d3 receptors HOFFMANN LA ROCHE 2012-12-05 CN disclosed
CN-102471276-A Novel tetrahydroisoquinoline compounds DAIICHI SANKYO CO LTD 2012-05-23 CN disclosed
CN-102164914-A Benzo[d]isoxazol-3-yl-piperazin derivatives useful as modulators of dopamine D3 receptors HOFFMANN LA ROCHE 2011-08-24 CN disclosed
CN-102159557-A Piperazine d3 and 5-ht2a receptor modulators HOFFMANN LA ROCHE 2011-08-17 CN disclosed
CN-101981012-A Novel tetrahydroisoquinoline derivative DAIICHI SANKYO CO LTD 2011-02-23 CN disclosed
CN-101778820-A Benzoyl-piperidine derivatives as dual modulators of the 5-ht2a and d3 receptors HOFFMANN LA ROCHE 2010-07-14 CN disclosed
US-20080207690-A1 Benzisoxazole Derivatives RAQUALIA PHARMA INC. (JP) 2008-08-28 US disclosed
US-20070037906-A1 Polycarbonate resin composition and optical part IDEMITSU KOSAN CO., LTD. (JP) 2007-02-15 US disclosed
US-6090950-A Chiral hydride complexes ZEELAND CHEMICALS, INC. (US) 2000-07-18 US disclosed
WO-1998007653-A1 CHIRAL HYDRIDE COMPLEXES ZEELAND CHEMICALS, INC. (US) 1998-02-26 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-20080207690-A1 Benzisoxazole Derivatives BRS3, MRGPRX4, HTR4 NLRP3 1135/4885JAK2 1247/4885JAK1 2090/4885

“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.