SCHEMBL2450503

SCHEMBL2450503

O=C(Cc1ccccc1)ON1C(=O)CCC1=O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MAPK1 P28482 2/20 0.57
HPGD P15428 1/20 0.57
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PAM P19021 1/20 0.49
TSHR P16473 1/20 0.47
PKM P14618 1/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
AKR1B1 P15121 1/20 0.45
MGLL Q99685 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PARL Q9H300 1/20 0.43
ALOX12 P18054 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
SCHEMBL499428 0.91 KMT2A (0.46) KMT2AMAPK1HPGDALDH1A1L3MBTL1
SCHEMBL4738882 0.90 LMNA (0.51) KMT2AMAPK1HPGDALDH1A1TSHR
SCHEMBL19658177 0.88 KMT2A (0.50) KMT2AMAPK1HPGDALDH1A1L3MBTL1
SCHEMBL22415045 0.86 KMT2A (0.46) KMT2AMAPK1HPGDALDH1A1L3MBTL1
SCHEMBL25916425 0.86 KMT2A (0.49) KMT2AMAPK1HPGDALDH1A1L3MBTL1
SCHEMBL31225579 0.86 FAAH (0.53) KMT2AMAPK1HPGDALDH1A1PKM
SCHEMBL436079 0.85 TDP1 (0.54) KMT2AMAPK1HPGDALDH1A1L3MBTL1
SCHEMBL5852228 0.84 CA2 (0.46) KMT2AMAPK1HPGDALDH1A1L3MBTL1
SCHEMBL19658180 0.84 KMT2A (0.41) KMT2AMAPK1HPGDALDH1A1PKM
SCHEMBL5019569 0.83 KMT2A (0.41) KMT2AMAPK1HPGDALDH1A1PAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032585-B1 DEOXYHYPUSINE REAGENT AND PEPTIDES UNIV FLORIDA (US) 2004-11-24 EP claimed
US-6258931-B1 SYNTHESIZING DEOXYHYPUSINE DERIVATIVE BY USING ESTER OF DIPROTECTED LYSINE, DEBLOCKING ONE NITROGEN, CONDENSING WITH 3-CYANOPROPANAL, REDUCING TO A TRIAMINE, PROTECTING FREE AMINO GROUPS, DEBLOCKING AGAIN, AND ACYLATING THE FREE AMINO GROUP UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2001-07-10 US claimed
EP-1032585-A1 DEOXYHYPUSINE REAGENT AND PEPTIDES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2000-09-06 EP claimed
WO-2000011020-A9 DEOXYHYPUSINE REAGENT AND PEPTIDES UNIV FLORIDA (US) 2000-08-10 WO claimed
WO-2000011020-A1 DEOXYHYPUSINE REAGENT AND PEPTIDES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2000-03-02 WO claimed
US-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME LLC (US) 2023-10-05 US disclosed
US-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME LLC (US) 2023-10-05 US disclosed
US-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME LLC (US) 2023-10-05 US disclosed
EP-4218833-A1 LABELING OF ANTIBODIES Whitehead Institute for Biomedical Research (US) 2023-08-02 EP disclosed
EP-4204441-A1 INSULIN RECEPTOR PARTIAL AGONISTS Merck Sharp & Dohme LLC (US) 2023-07-05 EP disclosed
EP-3359573-B1 LABELING OF ANTIBODIES THE WHITEHEAD INSTITUTE FOR BIOMEDICAL RES (US) 2023-01-04 EP disclosed
US-11530250-B2 Tyrosine-specific functionalized insulin and insulin analogs MERCK SHARP & DOHME LLC (US) 2022-12-20 US disclosed
EP-0099747-B1 C-23-MODIFIED DERIVATIVES OF 5-0-MYCAMINOSYL TYLONOLIDE ELI LILLY AND COMPANY (US) 1987-03-04 EP disclosed
EP-0099746-B1 C-23-MODIFIED DERIVATIVES OF MACROLIDE ANTIBIOTICS ELI LILLY AND COMPANY (US) 1986-10-22 EP disclosed
US-4459290-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1984-07-10 US disclosed
US-4452784-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1984-06-05 US disclosed
US-4443436-A BACTERICIDES ELI LILLY AND COMPANY (US) 1984-04-17 US disclosed
EP-0099746-A1 C-23-modified derivatives of macrolide antibiotics ELI LILLY AND COMPANY (US) 1984-02-01 EP disclosed
EP-0099747-A1 C-23-modified derivatives of 5-0-mycaminosyl tylonolide ELI LILLY AND COMPANY (US) 1984-02-01 EP disclosed
US-4401594-A PROTEOLYTIC ENZYME INHIBIJTORS; CARDIOVASCULAR AND MUSCULAR DISORDERS NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-08-30 US 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-11530250-B2 Tyrosine-specific functionalized insulin and insulin analogs IRS1, IGF1R, INSR KMT2A 2835/4885MAPK1 423/4885HPGD 3148/4885
US-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 KMT2A 4174/4885MAPK1 3170/4885HPGD 3295/4885

“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.