SCHEMBL3201232

SCHEMBL3201232

O=C(CCCCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)ON1C(=O)CCC1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 1/20 0.49
▸ FTO Q9C0B1 9/20 0.47
▸ KCNH2 Q12809 3/20 0.46
▸ MMP14 P50281 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ BLM P54132 1/20 0.44
▸ SMAD3 P84022 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PRMT1 Q99873 1/20 0.44
▸ ACE2 Q9BYF1 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ CNR1 P21554 2/20 0.43
▸ HDAC6 Q9UBN7 1/20 0.41
▸ NAALAD2 Q9Y3Q0 1/20 0.40

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
SCHEMBL30366389 1.00 ALB (0.49) ALBFTOKCNH2MMP14JAK2
Fluorescein SCHEMBL29996358 0.86 FTO (0.52) ALBFTOMEN1MAPTHPGD
SCHEMBL14769388 0.86 ALB (0.47) ALBFTOKCNH2MMP14JAK2
SCHEMBL17787480 0.85 ALB (0.47) ALBFTOKCNH2MMP14JAK2
SCHEMBL6450383 0.85 ALB (0.49) ALBFTOKCNH2MMP14JAK2
SCHEMBL3499473 0.84 ALB (0.56) ALBFTOKCNH2MMP14JAK2
SCHEMBL917141 0.84 ALB (0.58) ALBFTOKCNH2MMP14JAK2
SCHEMBL9215437 0.84 FTO (0.38) ALBFTOKCNH2MMP14JAK2
SCHEMBL20353152 0.82 FTO (0.55) ALBFTOKCNH2MMP14JAK2
SCHEMBL22434464 0.82 MEN1 (0.54) ALBFTOKCNH2MMP14MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220144845-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS UNIV DREXEL (US) 2022-05-12 — — US disclosed
US-20200062768-A1 CX3CR1 Small Molecule Antagonists, and Methods Using Same DREXEL UNIVERSITY 2020-02-27 — — US disclosed
US-7667048-B2 Green and orange fluorescent labels and their uses ARIES ASSOCIATES, INC. (US) 2010-02-23 — — US disclosed
US-7592143-B2 Methods of treating diseases responsive to induction of apoptosis and screening assays CYTOVIA, INC. (US) 2009-09-22 — — US disclosed
EP-1054062-B1 GLYCOSYLTRANSFERASE AND DNA ENCODING THE SAME KYOWA HAKKO BIO CO LTD (JP) 2009-06-03 — — EP disclosed
US-20080261235-A1 Novel Green and Orange Fluorescent Labels and Their Uses BHATT RAM 2008-10-23 — — US disclosed
EP-1620564-A4 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS CYTOVIA INC (US) 2008-03-12 — — EP disclosed
US-7317111-B2 Green and orange fluorescent labels and their uses ARIES ASSOCIATES, INC. (US) 2008-01-08 — — US disclosed
US-20070112008-A1 Saframycins, analogues and uses thereof MYERS ANDREW G 2007-05-17 — — US disclosed
US-20070112008-A1 Saframycins, analogues and uses thereof MYERS ANDREW G 2007-05-17 — — US disclosed
US-20050004026-A1 Methods of treating diseases responsive to induction of Apoptosis and screening assays CYTOVIA, INC. 2005-01-06 — — US disclosed
US-6830908-B2 Enzymatic polypetide for use in modifying carbohydrates KYOWA HAKKO KOGYO CO., LTD. (JP) 2004-12-14 — — US disclosed
WO-2004094647-A2 METHODS OF TREATING DISEASES RESPONSIVE TO INDUCTION OF APOPTOSIS AND SCREENING ASSAYS CYTOVIA, INC. (US) 2004-11-04 — — WO disclosed
WO-2004089295-A2 HOMOGENEOUS AND HETEROGENEOUS ASSAY METHODS USING NUCLEATION CENTERS AND NOVEL COVALENT CHEMISTRIES FOR THE RAPID MEASUREMENT OF PHOSPHORYLATION AND DE-PHOSPHORYLATION CHROMAGEN, INC. (US) 2004-10-21 — — WO disclosed
US-20040137532-A1 Antibody competition test (act) for the qualitative and conformation dependent quantitative detection of the conformation changes of p-glycoprotein and other cell surface receptors, pumps and proteins, and uses thereof SOFT FLOW HUNGARY KFT. (HU) 2004-07-15 — — US disclosed
US-20040106806-A1 Novel green and orange fluorescent labels and their uses ARIES ASSOCIATES, INC. 2004-06-03 — — US disclosed
WO-2004027388-A2 NOVEL GREEN AND ORANGE FLUORESCENT LABELS AND THEIR USES CHROMAGEN, INC. (US) 2004-04-01 — — WO disclosed
EP-1373891-A2 QUANTITATIVE DETECTION OF THE CONFORMATION CHANGES OF P-GLYCOPROTEIN SOFT FLOW HUNGARY KFT. (HU) 2004-01-02 — — EP disclosed
US-6475761-B1 Glycosyltransferase and DNA encoding the same KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-11-05 — — US disclosed
WO-2002071061-A2 QUANTITATIVE DETECTION OF THE CONFORMATION CHANGES OF P-GLYCOPROTEIN SOFT FLOW HUNGARY KFT. (HU) 2002-09-12 — — 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 (6 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-20050004026-A1 Methods of treating diseases responsive to induction of Apoptosis and screening assays HEATR6, HEATR1, AIP ALB 2063/4885FTO 4804/4885KCNH2 4577/4885
US-20070112008-A1 Saframycins, analogues and uses thereof MYC, MAN1B1, MRPS18A ALB 4047/4885FTO 3615/4885KCNH2 3591/4885
US-20220144845-A1 SUBSTITUTED PYRROLO[1,2-a]QUINOXALIN-4(5H)-ONES AS CX3CR1 ANTAGONISTS CX3CR1, CCR5, CCL2 ALB 4086/4885FTO 1942/4885KCNH2 1133/4885
US-20200062768-A1 CX3CR1 Small Molecule Antagonists, and Methods Using Same CX3CR1, CCR5, CXCR3 ALB 4546/4885FTO 3392/4885KCNH2 940/4885
US-20040106806-A1 Novel green and orange fluorescent labels and their uses CD69, ANXA5, ANXA6 ALB 1390/4885FTO 1578/4885KCNH2 3461/4885
US-20080261235-A1 Novel Green and Orange Fluorescent Labels and Their Uses CD69, ANXA6, ANXA5 ALB 1701/4885FTO 1977/4885KCNH2 4180/4885

“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.

Send feedback