SCHEMBL1440925

SCHEMBL1440925

C=CCN(CCC(=O)OCC)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
CYP1A2 P05177 2/20 0.33
CA14 Q9ULX7 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTT P42858 1/20 0.32
CTSK P43235 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
SCHEMBL6538686 0.87 HDAC6 (0.37) ALDH1A1SMN1; SMN2HDAC6CYP1A2CA14
SCHEMBL19187948 0.87 NFKB1 (0.36) ALDH1A1SMN1; SMN2HDAC6CYP1A2CA14
SCHEMBL23624143 0.85 KMT2A (0.40) ALDH1A1HDAC6CA14HDAC1HDAC2
SCHEMBL376299 0.85 F2 (0.38) ALDH1A1SMN1; SMN2HDAC6CYP1A2CA14
SCHEMBL6538656 0.85 CA14 (0.39) ALDH1A1SMN1; SMN2HDAC6CYP1A2CA14
SCHEMBL15312506 0.82 SMN1; SMN2 (0.38) ALDH1A1SMN1; SMN2HDAC6CYP1A2CA14
SCHEMBL6538877 0.82 CA14 (0.39) ALDH1A1HDAC6CA14HDAC1HDAC2
SCHEMBL1272960 0.82 CA14 (0.49) ALDH1A1SMN1; SMN2HDAC6CYP1A2CA14
SCHEMBL20045144 0.82 CA14 (0.39) ALDH1A1SMN1; SMN2HDAC6CYP1A2CA14
SCHEMBL15942130 0.82 CA14 (0.38) ALDH1A1HDAC6CA14HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680335-A1 UREA DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF Ventus Therapeutics U.S., Inc. (US) 2026-01-21 EP disclosed
EP-4680336-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF Ventus Therapeutics U.S., Inc. (US) 2026-01-21 EP disclosed
US-20260007684-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U S INC (US) 2026-01-08 US disclosed
US-20260008768-A1 UREA DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U S INC (US) 2026-01-08 US disclosed
US-12479837-B2 Reversible DPP1 inhibitors and uses thereof INSMED INCORPORATED (US) 2025-11-25 US disclosed
EP-4646265-A1 NOVEL, REVERSIBLE DPP1 INHIBITORS AND USES THEREOF Insmed Incorporated (US) 2025-11-12 EP disclosed
US-20250223284-A1 REVERSIBLE DPP1 INHIBITORS AND USES THEREOF INSMED INCORPORATED 2025-07-10 US disclosed
WO-2024196788-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2024-09-26 WO disclosed
WO-2024196786-A1 UREA DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2024-09-26 WO disclosed
CN-113795491-B Bridged ring-3, 4-dihydro-pyrido [1,2-a ] pyrazine-1, 8-dione compounds and pharmaceutical uses thereof 上海拓界生物医药科技有限公司 2024-09-03 CN disclosed
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2012-06-28 US disclosed
US-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors PFISTER KEITH B (US) 2012-06-21 US disclosed
US-20110130380-A1 Heteroaryl Kinase Inhibitors NOVARTIS AG (CH) 2011-06-02 US disclosed
WO-2011026911-A1 BIPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 WO disclosed
WO-2011026917-A1 HETEROARYL COMPOUNDS AS KINASE INHIBITORS NOVARTIS AG (CH) 2011-03-10 WO disclosed
WO-2011026904-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-03-10 WO disclosed
US-6812235-B2 2-ACYLAMINO- BETA -ALANINE DERIVATIVES AND A PHARMACEUTICALLY ACCEPTABLE SALT, USEFUL AS FIBRINOGEN RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-02 US disclosed
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ASTELLAS PHARMA INC. (JP) 2003-01-23 US disclosed
EP-1255748-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-11-13 EP disclosed
WO-2001060813-A1 BETA-ALANINE DERIVATIVES AND THEIR USE AS RECEPTOR ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-08-23 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 (8 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-20260008768-A1 UREA DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF NOD1, NLRP3, NOD2 ALDH1A1 1340/4885SMN1; SMN2 3180/4885HDAC6 630/4885
US-20250223284-A1 REVERSIBLE DPP1 INHIBITORS AND USES THEREOF DPP4, DPP7, DPP9 ALDH1A1 125/4885SMN1; SMN2 880/4885HDAC6 578/4885
US-20120157433-A1 Heteroaryl Compounds as Kinase Inhibitors CDK2, CDK1, CDK6 ALDH1A1 1961/4885SMN1; SMN2 2126/4885HDAC6 436/4885
US-20110130380-A1 Heteroaryl Kinase Inhibitors CDK2, CDK1, CDKL1 ALDH1A1 1763/4885SMN1; SMN2 2172/4885HDAC6 482/4885
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB ALDH1A1 578/4885SMN1; SMN2 2439/4885HDAC6 3137/4885
US-12479837-B2 Reversible DPP1 inhibitors and uses thereof DPP4, DPP7, DPP9 ALDH1A1 125/4885SMN1; SMN2 880/4885HDAC6 578/4885
US-20120165306-A1 PYRAZINYLPYRIDINES USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES CDK4, CDK1, CCNI ALDH1A1 1528/4885SMN1; SMN2 2827/4885HDAC6 316/4885
US-20260007684-A1 AMIDE DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF NOD1, NLRP3, NOD2 ALDH1A1 1304/4885SMN1; SMN2 3274/4885HDAC6 346/4885

“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.