SCHEMBL2269233

SCHEMBL2269233

O=C=NC(OCc1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 2/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A1 P43005 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 2/20 0.49
MEN1 O00255 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 4/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HDAC2 Q92769 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL7819092 0.77 SLC1A3 (0.43) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL7821068 0.77 SLC1A1 (0.43) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL4777959 0.75 ALDH1A1 (0.47) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL431116 0.74 SLC1A1 (0.49) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL4829905 0.74 SLC1A3 (0.40) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL4901360 0.73 SLC1A3 (0.38) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL18497884 0.73 SLC1A1 (0.46) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL418322 0.72 SLC1A3 (0.76) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL8553178 0.72 SLC1A1 (0.59) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2
SCHEMBL1231110 0.72 SLC1A1 (0.59) SLC1A3SLC1A2SLC1A1KMT2ACYP1A2

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
CN-117897177-A Molecular degradation agent for extracellular proteins 耶鲁大学 2024-04-16 CN disclosed
CN-111542511-A Double-headed inhibitors of proteolytic enzymes 宇部兴产株式会社 2020-08-14 CN disclosed
EP-1724278-B1 NITROGENOUS FUSED-RING DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE DERIVATIVES, AND USE THEREOF AS DRUGS KISSEI PHARMACEUTICAL (JP) 2014-05-07 EP disclosed
CN-102203068-B Cyclohexane derivative and pharmaceutical use thereof TORAY INDUSTRIES 2014-03-19 CN disclosed
EP-1548024-B1 PYRAZOLE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE SAME, MEDICINAL USE THEREOF, AND INTERMEDIATE FOR PRODUCTION THEREOF KISSEI PHARMACEUTICAL (JP) 2012-06-06 EP disclosed
CN-102203068-A Cyclohexane derivative and pharmaceutical use thereof TORAY INDUSTRIES 2011-09-28 CN disclosed
US-7998975-B2 Sodium dependent glucose transporter inhibition; hyperglycemia associated diseases; 3-glucopyranosyloxy- 1H-indazole and 1H-pyrazolo[3,4-b]pyridine derivatives KISSEI PHARMACEUTICAL CO., LTD. (JP) 2011-08-16 US disclosed
US-20080188426-A1 NITROGENOUS FUSED-RING DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE DERIVATIVES, AND USE THEREOF AS DRUGS KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-08-07 US disclosed
US-7375113-B2 Nitrogenous fused-ring derivatives, medicinal compositions containing the derivatives, and use thereof as drugs KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-05-20 US disclosed
US-20080045537-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-02-21 US disclosed
CN-101039672-A Chemical compounds SMITHKLINE BEECHAM CORP (US) 2007-09-19 CN disclosed
US-20070191289-A1 Nitrogenous fused-ring derivatives, medicinal compositions containing the derivatives, and use thereof as drugs KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-08-16 US disclosed
EP-1789045-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-30 EP disclosed
EP-1724278-A1 NITROGENOUS FUSED-RING DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE DERIVATIVES, AND USE THEREOF AS DRUGS Kissei Pharmaceutical Co., Ltd. (JP) 2006-11-22 EP disclosed
WO-2006023400-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-02 WO disclosed
CN-1230884-A Thiol sulfone metalloprotease inhibitors MONSANTO CO (US) 1999-10-06 CN 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 (3 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-20070191289-A1 Nitrogenous fused-ring derivatives, medicinal compositions containing the derivatives, and use thereof as drugs SLC5A1, SLC5A2, GPR119 SLC1A3 271/4885SLC1A2 364/4885SLC1A1 257/4885
US-20080045537-A1 Chemical Compounds CCR5, CXCR4, CXCR3 SLC1A3 2844/4885SLC1A2 3389/4885SLC1A1 2327/4885
US-20080188426-A1 NITROGENOUS FUSED-RING DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE DERIVATIVES, AND USE THEREOF AS DRUGS SLC5A1, SLC5A2, SLC2A1 SLC1A3 321/4885SLC1A2 419/4885SLC1A1 274/4885

“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.