SCHEMBL6538686

SCHEMBL6538686

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.37
CA14 Q9ULX7 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
NR1I2 O75469 1/20 0.33
PGR P06401 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
PTGS2 P35354 1/20 0.33
PDE4D Q08499 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
CYP1A2 P05177 2/20 0.33
TSHR P16473 3/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6538656 0.92 CA14 (0.39) HDAC6CA14SMN1; SMN2NR1I2PGR
SCHEMBL14639322 0.87 HDAC6 (0.35) HDAC6CA14SMN1; SMN2NFKB1NFKB2
SCHEMBL1440925 0.87 ALDH1A1 (0.38) HDAC6CA14SMN1; SMN2NR1I2PGR
SCHEMBL15645124 0.85 CA14 (0.44) HDAC6CA14HDAC1HDAC2ALDH1A1
SCHEMBL20045144 0.84 CA14 (0.39) HDAC6CA14SMN1; SMN2NFKB1NFKB2
SCHEMBL1272960 0.84 CA14 (0.49) HDAC6CA14SMN1; SMN2NR1I2PGR
SCHEMBL25247476 0.82 CA14 (0.41) HDAC6CA14HDAC1HDAC2ALDH1A1
SCHEMBL15312506 0.81 SMN1; SMN2 (0.38) HDAC6CA14SMN1; SMN2NFKB1NFKB2
SCHEMBL21425191 0.81 CA14 (0.38) HDAC6CA14HDAC1HDAC2CTSK
SCHEMBL6538907 0.80 CA14 (0.46) HDAC6CA14SMN1; SMN2NFKB1NFKB2

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
EP-4712961-A2 KRAS G12S AND G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2026-03-25 EP 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
US-20250059187-A1 COVALENTLY BINDING INHIBITORS OF G12S, G12D AND/OR G12E MUTANTS OF K-RAS GTPASE UNIV CALIFORNIA (US) 2025-02-20 US disclosed
WO-2024238633-A2 KRAS G12S AND G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2024-11-21 WO disclosed
EP-4452416-A1 COVALENTLY BINDING INHIBITORS OF G12S, G12D AND/OR G12E MUTANTS OF K-RAS GTPASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-10-30 EP disclosed
CN-118786129-A Covalent binding inhibitors of G12S, G D and/or G12E mutants of K-RAS GTPases 加利福尼亚大学董事会 2024-10-15 CN disclosed
WO-2024148308-A1 NOVEL, REVERSIBLE DPP1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2024-07-11 WO disclosed
WO-2024148308-A1 NOVEL, REVERSIBLE DPP1 INHIBITORS AND USES THEREOF INSMED INCORPORATED (US) 2024-07-11 WO disclosed
WO-2023122662-A1 COVALENTLY BINDING INHIBITORS OF G12S, G12D AND/OR G12E MUTANTS OF K-RAS GTPASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-29 WO disclosed
WO-2023122662-A1 COVALENTLY BINDING INHIBITORS OF G12S, G12D AND/OR G12E MUTANTS OF K-RAS GTPASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-29 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 (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-20250059187-A1 COVALENTLY BINDING INHIBITORS OF G12S, G12D AND/OR G12E MUTANTS OF K-RAS GTPASE KRAS, HRAS, NRAS HDAC6 1346/4885CA14 4606/4885SMN1; SMN2 4083/4885
US-20250223284-A1 REVERSIBLE DPP1 INHIBITORS AND USES THEREOF DPP4, DPP7, DPP9 HDAC6 578/4885CA14 1092/4885SMN1; SMN2 880/4885
US-20030018193-A1 Beta-alanine derivatives and their use as receptor anatgonists ARRB1, ADRB1, GLRB HDAC6 3137/4885CA14 1446/4885SMN1; SMN2 2439/4885
US-12479837-B2 Reversible DPP1 inhibitors and uses thereof DPP4, DPP7, DPP9 HDAC6 578/4885CA14 1092/4885SMN1; SMN2 880/4885

“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.