SCHEMBL3373967

SCHEMBL3373967

CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C=O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.48
GAA P10253 2/20 0.40
EPHX1 P07099 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
CTSK P43235 2/20 0.38
CCR1 P32246 1/20 0.38
KDM1A O60341 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAOB P27338 1/20 0.36
F2 P00734 1/20 0.34
F10 P00742 1/20 0.34
PRSS1 P07477 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
SCHEMBL17714303 1.00 BTK (0.48) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL13039154 1.00 BTK (0.48) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL16439501 1.00 BTK (0.48) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL25912194 1.00 BTK (0.48) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL5660102 0.97 BTK (0.44) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL5660106 0.97 BTK (0.44) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL3377156 0.97 BTK (0.44) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL14368651 0.97 BTK (0.44) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL12665761 0.97 BTK (0.44) BTKGAAEPHX1NFKB1NFKB2
SCHEMBL28790202 0.97 BTK (0.44) BTKGAAEPHX1NFKB1NFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3221304-B1 NOVEL CARBOXYLIC ACID COMPOUNDS USEFUL FOR INHIBITING MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 LILLY CO ELI (US) 2019-07-24 EP disclosed
US-20180251446-A1 Novel Carboxylic Acid Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 LILLY CO ELI (US) 2018-09-06 US disclosed
US-9969714-B2 Carboxylic acid compounds useful for inhibiting microsomal prostaglandin E2 synthase-1 ELI LILLY AND COMPANY (US) 2018-05-15 US disclosed
US-9969714-B2 Carboxylic acid compounds useful for inhibiting microsomal prostaglandin E2 synthase-1 ELI LILLY AND COMPANY (US) 2018-05-15 US disclosed
US-9969714-B2 Carboxylic acid compounds useful for inhibiting microsomal prostaglandin E2 synthase-1 ELI LILLY AND COMPANY (US) 2018-05-15 US disclosed
US-20170313679-A1 Novel Carboxylic Acid Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 ELI LILLY AND COMPANY 2017-11-02 US disclosed
US-20170313679-A1 Novel Carboxylic Acid Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 ELI LILLY AND COMPANY 2017-11-02 US disclosed
US-20170313679-A1 Novel Carboxylic Acid Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 ELI LILLY AND COMPANY 2017-11-02 US disclosed
WO-2012000608-A2 NOVEL BETA-AMINOALDEHYDE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR CHEMICAL USE AS REACTIVE INTERMEDIATES GLUESENKAMP KARL-HEINZ (DE) 2012-01-05 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 (2 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-20170313679-A1 Novel Carboxylic Acid Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 PTGS1, PTGES, PTGS2 BTK 4747/4885GAA 1038/4885EPHX1 22/4885
US-20180251446-A1 Novel Carboxylic Acid Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 PTGS1, PTGES, PTGS2 BTK 4747/4885GAA 1038/4885EPHX1 22/4885

“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.