SCHEMBL5540531

SCHEMBL5540531

CN(CCC=O)C(=O)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 1/20 0.51
TGM2 P21980 1/20 0.51
TGM1 P22735 1/20 0.51
ALDH1A1 P00352 4/20 0.49
CCR6 P51684 1/20 0.47
PAX8 Q06710 1/20 0.47
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HCAR2 Q8TDS4 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HDAC1 Q13547 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
ABCB1 P08183 1/20 0.42
LMNA P02545 1/20 0.42
CHRNB2 P17787 1/20 0.42

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
SCHEMBL19346033 0.91 CCR6 (0.48) F13A1TGM2TGM1ALDH1A1CCR6
SCHEMBL15766555 0.90 CCR6 (0.50) F13A1TGM2TGM1ALDH1A1CCR6
SCHEMBL7367495 0.87 ALDH1A1 (0.58) F13A1TGM2TGM1ALDH1A1CCR6
SCHEMBL40190 0.84 ALDH1A1 (0.51) F13A1TGM2TGM1ALDH1A1CCR6
SCHEMBL25964356 0.84 F13A1 (0.50) F13A1TGM2TGM1ALDH1A1CCR6
SCHEMBL31697957 0.83 ALDH1A1 (0.53) F13A1TGM2TGM1ALDH1A1CCR6
SCHEMBL25978639 0.83 ALDH1A1 (0.53) F13A1TGM2TGM1ALDH1A1CCR6
SCHEMBL553299 0.83 ALDH1A1 (0.53) F13A1TGM2TGM1ALDH1A1CCR6
SCHEMBL2724661 0.83 ALDH1A1 (0.53) F13A1TGM2TGM1ALDH1A1CCR6
SCHEMBL13181407 0.83 LTB4R (0.56) F13A1TGM2TGM1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4747260-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
EP-4739670-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-13 EP disclosed
WO-2025021666-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-30 WO disclosed
WO-2025012057-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-16 WO disclosed
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
EP-1664026-B1 MITOTIC KINESIN INHIBITORS MERCK & CO INC (US) 2009-01-21 EP disclosed
US-7465746-B2 Fluorinated 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP MERCK & CO., INC. (US) 2008-12-16 US disclosed
US-7465746-B2 Fluorinated 2,4-diaryl-2,5-dihydropyrrole inhibitors of the mitotic kinesin KSP MERCK & CO., INC. (US) 2008-12-16 US disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 US disclosed
EP-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 F13A1 4160/4885TGM2 3351/4885TGM1 3539/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 F13A1 3986/4885TGM2 3603/4885TGM1 3418/4885

“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.