SCHEMBL2742897

SCHEMBL2742897

CNC(=O)c1ccc(N(C)C=O)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.45
ALDH1A1 P00352 8/20 0.45
RAB9A P51151 5/20 0.45
HPGD P15428 4/20 0.45
NPC1 O15118 4/20 0.45
MAPT P10636 5/20 0.41
GAA P10253 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GLA P06280 1/20 0.41
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 2/20 0.38
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
USP2 O75604 1/20 0.34
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
PARP1 P09874 1/20 0.33
PLK1 P53350 1/20 0.33
PLAU P00749 1/20 0.32

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
SCHEMBL12216734 0.75 KDM4E (0.62) KDM4EALDH1A1RAB9AHPGDNPC1
SCHEMBL14395935 0.73 KDM4E (0.51) KDM4EALDH1A1RAB9AHPGDNPC1
SCHEMBL14395878 0.72 KDM4E (0.50) KDM4EALDH1A1RAB9AHPGDNPC1
SCHEMBL8244239 0.71 KDM4E (0.62) KDM4EALDH1A1RAB9AHPGDNPC1
SCHEMBL4211785 0.71 KDM4E (0.53) KDM4EALDH1A1RAB9AHPGDNPC1
SCHEMBL6395252 0.69 KDM4E (0.55) KDM4EALDH1A1RAB9AHPGDNPC1
SCHEMBL16198921 0.69 KDM4E (0.70) KDM4EALDH1A1RAB9AHPGDNPC1
SCHEMBL16659332 0.69 KDM4E (0.70) KDM4EALDH1A1RAB9AHPGDNPC1
SCHEMBL13473838 0.69 KDM4E (0.55) KDM4EALDH1A1RAB9AHPGDNPC1
SCHEMBL16659334 0.69 KDM4E (0.70) KDM4EALDH1A1RAB9AHPGDNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066006-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLYCOMIMETICS, INC. (US) 2018-03-08 US disclosed
US-9867841-B2 Compounds, compositions and methods using E-selectin antagonists for mobilization of hematopoietic cells GLYCOMIMETICS, INC. (US) 2018-01-16 US disclosed
US-9796745-B2 E-selectin antagonist compounds, compositions, and methods of use GLYCOMIMETICS, INC. (US) 2017-10-24 US disclosed
US-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS INC (US) 2016-12-15 US disclosed
US-20160289257-A1 GLYCOMIMETIC COMPOUNDS AND METHODS TO INHIBIT INFECTION BY HIV GLYCOMIMETICS INC (US) 2016-10-06 US disclosed
US-20160184339-A1 Compounds, Compositions and Methods Using E-Selectin Antagonists for Mobilization of Hematopoietic Cells GLYCOMIMETICS, INC. (US) 2016-06-30 US disclosed
US-20160145290-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLYCOMIMETICS, INC. 2016-05-26 US disclosed
US-9109002-B2 E-selectin antagonist compounds, compositions, and methods of use GLYCOMIMETICS, INC. (US) 2015-08-18 US disclosed
US-20150110808-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE GLYCOMIMETICS, INC. (US) 2015-04-23 US disclosed
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2014-06-26 US disclosed
US-RE44778-E1 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2014-02-25 US disclosed
US-8633303-B2 Heterobifunctional pan-selectin inhibitors GLYCOMIMETICS, INC. (US) 2014-01-21 US disclosed
US-20130261070-A1 ANTI-EPILEPTOGENIC AGENTS GLYCOMIMETICS, INC. 2013-10-03 US disclosed
US-20130184229-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS GLYCOMIMETICS, INC. (US) 2013-07-18 US disclosed
US-8361975-B2 Compounds and methods for treatment of sickle cell or complications associated therewith GLYCOMIMETICS, INC. (US) 2013-01-29 US disclosed
US-20120202762-A1 METHODS OF USE OF GLYCOMIMETICS WITH REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES GLYCOMIMETICS, INC. (US) 2012-08-09 US disclosed
US-20120015898-A1 COMPOUNDS AND METHODS FOR TREATMENT OF SICKLE CELL DISEASE OR COMPLICATIONS ASSOCIATED THEREWITH GLYCOMIMETICS, INC. (US) 2012-01-19 US disclosed
US-20120004190-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS GLYCOMIMETICS, INC. (US) 2012-01-05 US disclosed
US-20110257380-A1 GLYCOMIMETIC REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES GLYCOMIMETICS, INC. (US) 2011-10-20 US disclosed
US-20110251148-A1 GLYCOMIMETIC COMPOUNDS AND METHODS TO INHIBIT INFECTION BY HIV GLYCOMIMETICS, INC. (US) 2011-10-13 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 (14 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-20130184229-A1 HETEROBIFUNCTIONAL INHIBITORS OF E-SELECTINS AND CXCR4 CHEMOKINE RECEPTORS CXCL12, CXCR4, SELE KDM4E 4573/4885ALDH1A1 524/4885RAB9A 1655/4885
US-20120004190-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG KDM4E 4593/4885ALDH1A1 679/4885RAB9A 1809/4885
US-20160289257-A1 GLYCOMIMETIC COMPOUNDS AND METHODS TO INHIBIT INFECTION BY HIV SIGLEC9, FUT5, FUT6 KDM4E 3149/4885ALDH1A1 3564/4885RAB9A 2334/4885
US-20160361332-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG KDM4E 4593/4885ALDH1A1 679/4885RAB9A 1809/4885
US-20110251148-A1 GLYCOMIMETIC COMPOUNDS AND METHODS TO INHIBIT INFECTION BY HIV SIGLEC9, FUT5, FUT6 KDM4E 3149/4885ALDH1A1 3564/4885RAB9A 2334/4885
US-20120202762-A1 METHODS OF USE OF GLYCOMIMETICS WITH REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES FUT6, ENGASE, FUT5 KDM4E 4548/4885ALDH1A1 2041/4885RAB9A 3884/4885
US-20180066006-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SELE, SELPLG, SELP KDM4E 3628/4885ALDH1A1 3541/4885RAB9A 2907/4885
US-20160145290-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SELE, SELPLG, SELP KDM4E 3628/4885ALDH1A1 3744/4885RAB9A 2851/4885
US-20120015898-A1 COMPOUNDS AND METHODS FOR TREATMENT OF SICKLE CELL DISEASE OR COMPLICATIONS ASSOCIATED THEREWITH HBG1, HBG2, SORD KDM4E 4247/4885ALDH1A1 249/4885RAB9A 2448/4885
US-20140178303-A1 HETEROBIFUNCTIONAL PAN-SELECTIN INHIBITORS SELE, SELP, BSG KDM4E 4593/4885ALDH1A1 679/4885RAB9A 1809/4885
US-20150110808-A1 E-SELECTIN ANTAGONIST COMPOUNDS, COMPOSITIONS, AND METHODS OF USE SELE, SELPLG, SELP KDM4E 3628/4885ALDH1A1 3541/4885RAB9A 2907/4885
US-20130261070-A1 ANTI-EPILEPTOGENIC AGENTS GAP43, PYGB, NLN KDM4E 3871/4885ALDH1A1 1199/4885RAB9A 3909/4885
US-20110257380-A1 GLYCOMIMETIC REPLACEMENTS FOR HEXOSES AND N-ACETYL HEXOSAMINES FUT6, B3GNT2, FUT5 KDM4E 4414/4885ALDH1A1 2000/4885RAB9A 3760/4885
US-20160184339-A1 Compounds, Compositions and Methods Using E-Selectin Antagonists for Mobilization of Hematopoietic Cells SELE, SELP, SELPLG KDM4E 4303/4885ALDH1A1 3152/4885RAB9A 2832/4885

“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.