SCHEMBL5144737

SCHEMBL5144737

CCC(CC)(CC)[C@H](N)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
SLC1A3 P43003 4/20 0.38
SLC1A2 P43004 4/20 0.38
SLC1A1 P43005 4/20 0.38
SLC7A5 Q01650 2/20 0.37
DPP4 P27487 1/20 0.37
GRIK1 P39086 3/20 0.35
GRIK2 Q13002 2/20 0.35
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 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
SCHEMBL5281249 1.00 PTGS1 (0.48) PTGS1ALDH1A1MAPTSLC1A3SLC1A2
SCHEMBL20663432 0.84 ALDH1A1 (0.40) PTGS1ALDH1A1MAPTSLC1A3SLC1A2
SCHEMBL20192732 0.83 ALDH1A1 (0.39) PTGS1ALDH1A1MAPTSLC1A3SLC1A2
SCHEMBL18924801 0.81 ALDH1A1 (0.42) PTGS1ALDH1A1MAPTSLC1A3SLC1A2
SCHEMBL20192905 0.81 PTGS1 (0.47) PTGS1ALDH1A1MAPTSLC1A3SLC1A2
SCHEMBL23170050 0.81 ALDH1A1 (0.38) PTGS1ALDH1A1MAPTSLC1A3SLC1A2
SCHEMBL7872141 0.80 ALDH1A1 (0.44) PTGS1ALDH1A1MAPTSLC1A3SLC1A2
SCHEMBL27777133 0.80 ALDH1A1 (0.44) PTGS1ALDH1A1MAPTSLC1A3SLC1A2
SCHEMBL22508721 0.80 PTGS1 (0.50) PTGS1ALDH1A1MAPTSLC1A3SLC1A2
SCHEMBL5288950 0.77 ALDH1A1 (0.52) PTGS1ALDH1A1MAPTSLC1A3SLC1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551420-A4 ARYL PHOSPHATE DERIVATIVES WITH SELECTIVE ACTIVITY AGAINST ADENOVIRUS AND HIV PARKER HUGHES INST (US) 2007-11-21 EP disclosed
EP-1594976-A4 ARYL PHOSPHATE DERIVATIVES OF d4T HAVING ACTIVITY AGAINST RESISTANT HIV STRAINS PARKER HUGHES INST (US) 2007-11-07 EP 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-7144874-B2 Aryl phosphate derivatives of d4T having activity against resistant HIV strains PARKER HUGHES INSTITUTE (US) 2006-12-05 US disclosed
EP-1594976-A2 ARYL PHOSPHATE DERIVATIVES OF d4T HAVING ACTIVITY AGAINST RESISTANT HIV STRAINS Parker Hughes Institute (US) 2005-11-16 EP disclosed
EP-1551420-A1 ARYL PHOSPHATE DERIVATIVES WITH SELECTIVE ACTIVITY AGAINST ADENOVIRUS AND HIV Parker Hughes Institute (US) 2005-07-13 EP disclosed
US-20050143339-A1 Aryl phosphate derivatives of D4T with potent anti-viral activity PARKER HUGHES INSTITUTE (US) 2005-06-30 US disclosed
US-6825177-B2 2',3'-DIDEHYDRO-3'-DEOXYTHYMIDINE (D4T); EXTENDING THE ELIMINATION HALF-LIFE OF D4T METABOLITE IN A MAMMAL ADMINISTERING SAID DERIVATIVE; TREATING HUMAN IMMUNODEFICIENCY VIRUS (HIV) PARKER HUGHES INSTITUTE 2004-11-30 US disclosed
WO-2004040002-A2 ARYL PHOSPHATE DERIVATIVES OF d4T HAVING ACTIVITY AGAINST RESISTANT HIV STRAINS PARKER HUGHES INSTITUTE (US) 2004-05-13 WO disclosed
US-20040087549-A1 Aryl phosphate derivatives of d4T having activity against resistant HIV strains UCKUN, FATIH M. 2004-05-06 US disclosed
US-20040077607-A1 Aryl phosphate derivatives of d4T with potent anti-viral activity against hemorrhagic fever viruses PARKER HUGHES INSTITUTE 2004-04-22 US disclosed
US-20030236218-A1 Aryl phosphate derivatives of d4T with selective activity against adenovirus and HIV PARKER HUGHES INSTITUTE 2003-12-25 US disclosed
WO-2003105863-A1 ARYL PHOSPHATE DERIVATIVES WITH SELECTIVE ACTIVITY AGAINST ADENOVIRUS AND HIV PARKER HUGHES INSTITUTE (US) 2003-12-24 WO disclosed
US-6482805-B2 AZT derivatives exhibiting spermicidal and anti-viral activity PARKER HUGHES INSTITUTE 2002-11-19 US disclosed
US-6465641-B1 METHOD INCLUDES CONTACTING PHOSPHOROUS OXYCHLORIDE WITH A HALOPHENYL MOIETY FOLLOWED BY CONTACTING THE RESULTING HALOPHENYLPHOSPHORODICHLORIDATE WITH A CARBOXY-PROTECTED AMINO ACID AND FINALLY CONTACTING THE RESULTING HALOPHENYLCARBOXY PARKER HUGHES INSTITUTE 2002-10-15 US disclosed
US-20020137726-A1 Aryl phosphate derivatives of D4T with potent anti-viral activity PARKER HUGHES INSTITUTE 2002-09-26 US disclosed
US-20020025922-A1 AZT derivatives exhibiting spermicidal and anti-viral activity UCKUN, FATIH M. 2002-02-28 US disclosed
WO-2000056750-A1 ONE POT SYNTHESIS OF 5'-HYDROXY PHOSPHORYLATED NUCLEOSIDE DERIVATIVES, AND COMPOUNDS FORMED THEREBY PARKER HUGHES INSTITUTE (US) 2000-09-28 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 (7 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-20040087549-A1 Aryl phosphate derivatives of d4T having activity against resistant HIV strains TYMP, PNP, APRT PTGS1 3776/4885ALDH1A1 1280/4885MAPT 981/4885
US-20040077607-A1 Aryl phosphate derivatives of d4T with potent anti-viral activity against hemorrhagic fever viruses PNP, GNPAT, AASDHPPT PTGS1 3753/4885ALDH1A1 1584/4885MAPT 652/4885
US-20070015733-A1 Aryl Phosphate Derivatives of d4T having Activity Against Resistant HIV Strains TYMP, PNP, APRT PTGS1 3776/4885ALDH1A1 1280/4885MAPT 981/4885
US-20020025922-A1 AZT derivatives exhibiting spermicidal and anti-viral activity TYMP, DUT, UNG PTGS1 4322/4885ALDH1A1 919/4885MAPT 2369/4885
US-20020137726-A1 Aryl phosphate derivatives of D4T with potent anti-viral activity TYMP, PNP, GART PTGS1 3352/4885ALDH1A1 1996/4885MAPT 1302/4885
US-20030236218-A1 Aryl phosphate derivatives of d4T with selective activity against adenovirus and HIV APRT, AASDHPPT, GNPAT PTGS1 4601/4885ALDH1A1 1540/4885MAPT 182/4885
US-20050143339-A1 Aryl phosphate derivatives of D4T with potent anti-viral activity TYMP, PNP, APRT PTGS1 3241/4885ALDH1A1 1923/4885MAPT 1122/4885

“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.