SCHEMBL3203962

SCHEMBL3203962

CC(=O)C(N)Cc1ccc(C(=O)c2ccc(CC(N)C(C)=O)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TPH1 P17752 1/20 0.49
SLC7A5 Q01650 3/20 0.48
PTGS1 P23219 2/20 0.47
ALPI P09923 1/20 0.47
PKM P14618 1/20 0.47
XIAP P98170 1/20 0.47
BDKRB2 P30411 1/20 0.45
ANPEP P15144 1/20 0.44
ENPEP Q07075 1/20 0.44
KMT2A Q03164 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
SRD5A2 P31213 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CSK P41240 1/20 0.41
GRB2 P62993 1/20 0.41
SLC15A1 P46059 1/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL16728148 0.93 SLC7A5 (0.55) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL18067341 0.88 KMT2A (0.57) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL10069256 0.86 ANPEP (0.61) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL20714851 0.83 PRSS1 (0.50) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL4672949 0.82 SLC7A5 (0.50) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL13696626 0.82 SLC7A5 (0.50) TPH1SLC7A5PTGS1ALPIPKM
SCHEMBL2603687 0.82 SLC7A5 (0.71) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL8279093 0.82 SLC7A5 (0.71) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL12285673 0.82 SLC7A5 (0.71) SLC7A5PTGS1ALPIPKMXIAP
SCHEMBL14387733 0.82 SLC7A5 (0.50) TPH1SLC7A5PTGS1ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100068783-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION LIMITED (GB) 2010-03-18 US claimed
EP-2054465-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION LIMITED (GB) 2009-05-06 EP claimed
WO-2008023170-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION LIMITED (GB) 2008-02-28 WO claimed
US-8530212-B2 Carbene precursor compound for producing an adhesive surface on a substrate ISIS INNOVATION LIMITED (GB) 2013-09-10 US disclosed
US-20100068783-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION LIMITED (GB) 2010-03-18 US disclosed
EP-2054465-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION LIMITED (GB) 2009-05-06 EP disclosed
WO-2008023170-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ISIS INNOVATION LIMITED (GB) 2008-02-28 WO disclosed
US-6979566-B2 Method of treatment of viral infection including HIV using water soluble fullerenes—III THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-12-27 US disclosed
US-20040044062-A1 Method of treatment of viral infection including HIV using water soluble fullerenes - III FRIEDMAN SIMON H (US) 2004-03-04 US disclosed
US-6613771-B2 Prevent human retroviral reproduction, infections THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-09-02 US disclosed
US-20010041801-A1 Water soluble fullerenes with antiviral activity THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-11-15 US disclosed
US-6204391-B1 PREVENT REPRODUCTION OF HUMAN RETROVIRUSES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-03-20 US disclosed
WO-1995019949-A1 WATER SOLUBLE FULLERENES WITH ANTIVIRAL ACTIVITY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-07-27 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 (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-20040044062-A1 Method of treatment of viral infection including HIV using water soluble fullerenes - III CD4, RPP30, CASP3 TPH1 2387/4885SLC7A5 2233/4885PTGS1 3455/4885
US-20100068783-A1 TAILORED CONTROL OF SURFACE PROPERTIES BY CHEMICAL MODIFICATION ITGB2, ITGA2B, ITGB1 TPH1 1468/4885SLC7A5 3107/4885PTGS1 2653/4885
US-20010041801-A1 Water soluble fullerenes with antiviral activity ZC3HAV1, RPL35, SARS1 TPH1 3235/4885SLC7A5 1390/4885PTGS1 3202/4885

“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.