SCHEMBL4258677

SCHEMBL4258677

CON(c1ccccc1)[C@@H](C)[C]=O

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 2/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CYP3A4 P08684 1/20 0.31
ESR1 P03372 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL3850454 0.77 ALDH1A1 (0.38) ALDH1A1ALOX15KMT2AMEN1HTT
SCHEMBL10697965 0.75 HTT (0.38) ALDH1A1ALOX15KMT2AMEN1HTT
SCHEMBL10696369 0.74 MEN1 (0.41) ALDH1A1ALOX15KMT2AMEN1HTT
SCHEMBL5858419 0.74 MEN1 (0.41) ALDH1A1ALOX15KMT2AMEN1HTT
SCHEMBL28167241 0.74 ALDH1A1 (0.33) ALDH1A1ALOX15KMT2AMEN1HTT
SCHEMBL3199580 0.73 KMT2A (0.41) ALDH1A1KMT2AHTTTSHRLMNA
SCHEMBL10696689 0.72 MEN1 (0.35) ALDH1A1ALOX15KMT2AMEN1HTT
SCHEMBL3217854 0.70 KMT2A (0.47) ALDH1A1KMT2AMEN1HTTTSHR
SCHEMBL18825603 0.69 SRC (0.37) ALDH1A1ALOX15KMT2AMEN1HTT
SCHEMBL1335024 0.67 KMT2A (0.38) ALDH1A1ALOX15KMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7605144-B2 Enzyme catalyzed therapeutic compounds CELMED ONCOLOGY (USA), INC. (CA) 2009-10-20 US disclosed
EP-1200455-B1 ENZYME CATALYZED THERAPEUTIC ACTIVATION CELMED ONCOLOGY USA INC (CA) 2009-04-22 EP disclosed
US-20090069268-A1 NOVEL PHOSPHORAMIDATE COMPOUNDS AND METHODS OF USE CELMED ONCOLOGY (USA), INC. 2009-03-12 US disclosed
US-7462605-B2 Phosphoramidate compounds and methods of use CELMED ONCOLOGY (USA), INC. (CA) 2008-12-09 US disclosed
US-20070213307-A1 Methods to treat autoimmune and inflammatory conditions CELMED ONCOLOGY (USA), INC. 2007-09-13 US disclosed
US-20070015733-A1 Aryl Phosphate Derivatives of d4T having Activity Against Resistant HIV Strains PARKER HUGHES INSTITUTE (US) 2007-01-18 US disclosed
US-20060293285-A1 Aryl Phosphate Derivatives of d4T PARKER HUGHES INSTITUTE (US) 2006-12-28 US disclosed
US-7138388-B2 Methods to treat autoimmune and inflammatory conditions CELMED ONCOLOGY (USA), INC. (CA) 2006-11-21 US disclosed
EP-1359921-A4 METHODS TO TREAT AUTOIMMUNE AND INFLAMMATORY CONDITIONS NEWBIOTICS INC (US) 2006-09-06 EP disclosed
US-7071176-B2 Aryl phosphate derivatives of AZT having anti-HIV activity PARKER HUGHES INSTITUTE (US) 2006-07-04 US disclosed
US-6528495-B1 Para-bromo substitution on the aryl group shows markedly increased potency without undesirable levels of cytotoxic activity; inhibitors of HIV reverse transcriptase; phosphorus of the aryl phosphate is substituted with an amino acid PARKER HUGHES INSTITUTE 2003-03-04 US disclosed
US-20020151519-A1 Methods to treat autoimmune and inflammatory conditions CELMED ONCOLOGY (USA), INC. (CA) 2002-10-17 US disclosed
US-20020147175-A1 Synergistic ECTA compositions NEWBIOTICS, INC. 2002-10-10 US disclosed
WO-2002056832-A2 METHODS TO TREAT AUTOIMMUNE AND INFLAMMATORY CONDITIONS NEWBIOTICS, INC. (US) 2002-07-25 WO disclosed
WO-2002039952-A2 SYNERGISTIC ECTA COMPOSITIONS NEWBIOTICS, INC. (US) 2002-05-23 WO disclosed
WO-2002038576-A1 ARYL PHOSPHATE DERIVATIVES OF d4T PARKER HUGHES INSTITUTE (US) 2002-05-16 WO disclosed
EP-1200455-A1 ENZYME CATALYZED THERAPEUTIC ACTIVATION Newbiotics Inc. (US) 2002-05-02 EP disclosed
US-6350736-B1 phenyl methoxyalaninyl phosphate derivatives of 2',3'-didehydro-2',3'-dideoxythymidine with an electron-withdrawing moiety, such as p-bromo, for enhanced hydrolysis, have increased potency without high cytotoxic activity; inhibitors of HIV reverse transcriptase; thymidine-kinase (TK)-deficient cells PARKER HUGHES INSTITUTE 2002-02-26 US disclosed
WO-2001007454-A1 ENZYME CATALYZED THERAPEUTIC ACTIVATION NEWBIOTICS, INC. (US) 2001-02-01 WO disclosed
US-6030957-A INHIBITING HIV(HUMAN IMMUNODEFICIENCY VIRUS) REVERSE TRANSCIPTASE IN CELLS INFECTED WITH HIV BY ADMINISTERING TO INFECTED CELLS ARYLPHOSPHATE DERIVATIVE OF 2',3'-DIDEHYDRO-2',3'-DIDEOXYTHYMIDINE WAYNE HUGHES INSTITUTE (US) 2000-02-29 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 (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-20090069268-A1 NOVEL PHOSPHORAMIDATE COMPOUNDS AND METHODS OF USE MTAP, TYMP, INPP5D ALDH1A1 3586/4885ALOX15 1708/4885KMT2A 2126/4885
US-20020147175-A1 Synergistic ECTA compositions ENTPD1, ENTPD2, ENPP1 ALDH1A1 2150/4885ALOX15 3387/4885KMT2A 3785/4885
US-20070015733-A1 Aryl Phosphate Derivatives of d4T having Activity Against Resistant HIV Strains TYMP, PNP, APRT ALDH1A1 1280/4885ALOX15 4189/4885KMT2A 1342/4885
US-20020151519-A1 Methods to treat autoimmune and inflammatory conditions SSB, ENPP2, TPMT ALDH1A1 627/4885ALOX15 107/4885KMT2A 2621/4885
US-20070213307-A1 Methods to treat autoimmune and inflammatory conditions SSB, ENPP2, TPMT ALDH1A1 627/4885ALOX15 107/4885KMT2A 2621/4885
US-20060293285-A1 Aryl Phosphate Derivatives of d4T PNP, TYMP, APRT ALDH1A1 1008/4885ALOX15 4451/4885KMT2A 951/4885

“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.