SCHEMBL5374976

SCHEMBL5374976

CCCCCOC(=N)C(Cl)(Cl)Cl

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.48
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
NAAA Q02083 1/20 0.42
EPHX1 P07099 1/20 0.39
TSHR P16473 4/20 0.38
LPAR2 Q9HBW0 3/20 0.38
LPAR3 Q9UBY5 3/20 0.38
HCAR2 Q8TDS4 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FAAH O00519 1/20 0.35
LMNA P02545 1/20 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
SCHEMBL375748 0.93 ALDH1A1 (0.43) CA12CA1CA2CA9NAAA
SCHEMBL2797756 0.84 HCAR2 (0.31) HCAR2ALDH1A1
SCHEMBL9489882 0.74 EPHX1 (0.53) CA12CA1CA2CA9NAAA
Guanidine SCHEMBL10879764 0.74 EPHX1 (0.49) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL28481544 0.72 EPHX1 (0.57) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL1456856 0.72 EPHX1 (0.57) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL5583745 0.72 EPHX1 (0.57) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL28518473 0.72 EPHX1 (0.57) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL987628 0.72 EPHX1 (0.57) NAAAEPHX1TSHRHCAR2ALDH1A1
SCHEMBL27403281 0.72 EPHX1 (0.57) NAAAEPHX1TSHRHCAR2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0739349-B1 POLYMER-SUPPORTED SOLUTION SYNTHESIS OF OLIGOSACCHARIDES INNOVATIONS FOUNDATION (CA) 2000-05-17 EP claimed
US-5616698-A Polymer-supported solution synthesis of oligosaccharides UNIVERSITY OF TORONTO INNOVATIONS FOUNDATION (CA) 1997-04-01 US claimed
EP-0739349-A1 POLYMER-SUPPORTED SOLUTION SYNTHESIS OF OLIGOSACCHARIDES INNOVATIONS FOUNDATION (CA) 1996-10-30 EP claimed
WO-1995018814-A2 POLYMER-SUPPORTED SOLUTION SYNTHESIS OF OLIGOSACCHARIDES INNOVATIONS FOUNDATION (CA) 1995-07-13 WO claimed
CN-113024486-A Method for preparing oseltamivir intermediate 上海奥博生物医药技术有限公司 2021-06-25 CN disclosed
CN-113024489-A Preparation method of oseltamivir synthesis process impurity 上海奥博生物医药技术有限公司 2021-06-25 CN disclosed
US-20070270587-A1 PYRIMIDOINDOLONES AND METHODS FOR USING SAME WYETH (US) 2007-11-22 US disclosed
US-7256198-B2 Pyrimidoindolones and methods for using same WYETH (US) 2007-08-14 US disclosed
US-20050250798-A1 E.g., 8-{[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydropyrimido[1,2-a]indol-10(2H)-one; caspase inhibitors used to treat diseases including arthritis, myocardial infarction or stroke WYETH (US) 2005-11-10 US disclosed
US-6121271-A ANTIDIABETIC AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-09-19 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-20070270587-A1 PYRIMIDOINDOLONES AND METHODS FOR USING SAME TYMP, DPYD, TYMS CA12 4865/4885CA1 4377/4885CA2 4697/4885
US-20050250798-A1 E.g., 8-{[(2S)-2-(Methoxymethyl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydropyrimido[1,2-a]indol-10(2H)-one; caspase inhibitors used to treat diseases including arthritis, myocardial infarction or stroke CASP1, API5, CASP8 CA12 4864/4885CA1 3307/4885CA2 3932/4885

“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.