SCHEMBL3755352

SCHEMBL3755352

C[C](C)NC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CA12 O43570 3/20 0.37
CA14 Q9ULX7 3/20 0.37
APLNR P35414 1/20 0.37
CTSK P43235 2/20 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
SCHEMBL101218 0.86 DGAT1 (0.46) DGAT1TDP1NFKB1NFKB2RELA
SCHEMBL3951511 0.84 APLNR (0.41) DGAT1TDP1NFKB1NFKB2RELA
SCHEMBL1522412 0.83 DGAT1 (0.44) DGAT1TDP1NFKB1NFKB2RELA
SCHEMBL6272856 0.83 DGAT1 (0.44) DGAT1TDP1NFKB1NFKB2RELA
Potassium SCHEMBL29554503 0.83 DGAT1 (0.44) DGAT1TDP1NFKB1NFKB2RELA
SCHEMBL27506147 0.82 MEN1 (0.41) DGAT1TDP1NFKB1NFKB2RELA
SCHEMBL14949475 0.81 DGAT1 (0.42) DGAT1TDP1NFKB1NFKB2RELA
SCHEMBL9923753 0.80 GAA (0.40) DGAT1TDP1NFKB1NFKB2RELA
SCHEMBL10227847 0.80 TDP1 (0.38) DGAT1TDP1NFKB1NFKB2RELA
SCHEMBL22025144 0.80 TDP1 (0.38) DGAT1TDP1NFKB1NFKB2RELA

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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10906919-B2 Fused pentacyclic imidazole derivatives UCB Biopharma SRL (BE) 2021-02-02 US claimed
US-6967216-B2 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by NP Y5 receptor ASTRAZENECA AB (SE) 2005-11-22 US claimed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP claimed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US claimed
WO-2003018019-A2 NEW USE OF CYCLIC COMPOUNDS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-03-06 WO claimed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP claimed
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US claimed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO claimed
US-11912721-B2 Fused pentacyclic imidazole derivatives UCB Biopharma SRL (BE) 2024-02-27 US disclosed
CN-114728976-A HYDRO-1H-PYRROLO [1,2-A ] PYRAZINE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISORDERS 豪夫迈·罗氏有限公司 2022-07-08 CN disclosed
EP-3436456-B1 FUSED HEXACYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2021-11-17 EP disclosed
EP-3436460-B1 FUSED PENTACYCLIC IMIDAZOLE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2021-08-18 EP disclosed
EP-3201196-B1 FUSED PENTACYCLIC IMIDAZOLE DERIVATIVES UCB Biopharma SRL (BE) 2021-07-28 EP disclosed
US-20210155637-A1 Fused Pentacyclic Imidazole Derivatives SANOFI (FR) 2021-05-27 US disclosed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP disclosed
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor ASTRAZENECA AB (SE) 2003-12-04 US disclosed
EP-1278739-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR AstraZeneca AB (SE) 2003-01-29 EP disclosed
US-6376548-B1 FUNGICIDES; HERBICIDES; INSECTICIDES ROHM AND HAAS COMPANY 2002-04-23 US disclosed
WO-2001085714-A1 AMINO SUBSTITUTED DIBENZOTHIOPHENE DERIVATIVES FOR THE TREATMENT OF DISORDERS MEDIATED BY THE NP Y5 RECEPTOR ASTRAZENECA AB (SE) 2001-11-15 WO disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 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 (4 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-10906919-B2 Fused pentacyclic imidazole derivatives TNF, NFKBIA, TNFRSF1A DGAT1 4135/4885TDP1 545/4885NFKB1 14/4885
US-20210155637-A1 Fused Pentacyclic Imidazole Derivatives TNF, NFKBIA, TNFRSF1A DGAT1 4135/4885TDP1 545/4885NFKB1 14/4885
US-11912721-B2 Fused pentacyclic imidazole derivatives TNF, NFKBIA, TNFRSF1A DGAT1 4135/4885TDP1 545/4885NFKB1 14/4885
US-20030225097-A1 Amino substituted dibenzothiophene derivatives for the treatment of disorders mediated by np y5 receptor NPY5R, NPY1R, NPY2R DGAT1 2988/4885TDP1 1409/4885NFKB1 1290/4885

“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.