SCHEMBL2895327

SCHEMBL2895327

O=C(O)c1cc(SSc2ccc(Cl)c(C(=O)O)c2)ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
TP53 P04637 1/20 0.61
DTYMK P23919 1/20 0.53
TDP1 Q9NUW8 3/20 0.52
POLB P06746 3/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 2/20 0.52
LMNA P02545 1/20 0.50
CTSB P07858 1/20 0.47
TSHR P16473 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CASP1 P29466 1/20 0.45
KMT2A Q03164 4/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44

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
SCHEMBL1285810 0.84 MCL1 (0.65) ALDH1A1TP53TDP1POLBNPC1
SCHEMBL7834238 0.84 ALDH1A1 (0.57) ALDH1A1TP53TDP1POLBNPC1
SCHEMBL4940533 0.81 ALDH1A1 (0.53) ALDH1A1TP53TDP1POLBNPC1
SCHEMBL12675197 0.81 ALDH1A1 (0.53) ALDH1A1TP53TDP1POLBNPC1
SCHEMBL7814914 0.81 ALDH1A1 (0.53) ALDH1A1TP53TDP1POLBNPC1
SCHEMBL9206001 0.80 DTYMK (0.58) ALDH1A1DTYMKTDP1POLBMAPT
SCHEMBL4910215 0.78 ALDH1A1 (0.50) ALDH1A1TP53TDP1POLBNPC1
SCHEMBL739200 0.77 MCL1 (0.71) ALDH1A1DTYMKTDP1KDM4ECTSB
SCHEMBL2771204 0.76 ALDH1A1 (0.68) ALDH1A1TP53TDP1POLBNPC1
SCHEMBL224469 0.76 ALDH1A1 (1.00) ALDH1A1TP53TDP1POLBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8854617-B2 Compounds and markers for surface-enhanced Raman scattering JULIUS-MAXIMILIANS-UNIVERSITAT WURZBURG (DE) 2014-10-07 US disclosed
US-8854617-B2 Compounds and markers for surface-enhanced Raman scattering JULIUS-MAXIMILIANS-UNIVERSITAT WURZBURG (DE) 2014-10-07 US disclosed
US-8854617-B2 Compounds and markers for surface-enhanced Raman scattering JULIUS-MAXIMILIANS-UNIVERSITAT WURZBURG (DE) 2014-10-07 US disclosed
US-8741894-B2 Arylsulfonamide CCR3 antagonists AXIKIN PHARMACEUTICALS, INC. (US) 2014-06-03 US disclosed
EP-2193374-B1 MARKERS FOR SURFACE-ENHANCED RAMAN SCATTERING UNIV WUERZBURG J MAXIMILIANS (DE) 2013-10-23 EP disclosed
EP-2193374-B1 MARKERS FOR SURFACE-ENHANCED RAMAN SCATTERING UNIV WUERZBURG J MAXIMILIANS (DE) 2013-10-23 EP disclosed
US-20100284917-A1 COMPOUNDS AND MARKERS FOR SURFACE-ENHANCED RAMAN SCATTERING JULIUS-MAXIMILIANS- UNIVERSITAT (DE) 2010-11-11 US disclosed
US-20100284917-A1 COMPOUNDS AND MARKERS FOR SURFACE-ENHANCED RAMAN SCATTERING JULIUS-MAXIMILIANS- UNIVERSITAT (DE) 2010-11-11 US disclosed
US-20100284917-A1 COMPOUNDS AND MARKERS FOR SURFACE-ENHANCED RAMAN SCATTERING JULIUS-MAXIMILIANS- UNIVERSITAT (DE) 2010-11-11 US disclosed
EP-2193374-A2 COMPOUNDS AND MARKERS FOR SURFACE-ENHANCED RAMAN SCATTERING Julius-Maximilians-Universität Würzburg (DE) 2010-06-09 EP disclosed
WO-2009040114-A2 COMPOUNDS AND MARKERS FOR SURFACE-ENHANCED RAMAN SCATTERING JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) 2009-04-02 WO disclosed
WO-2009040114-A2 COMPOUNDS AND MARKERS FOR SURFACE-ENHANCED RAMAN SCATTERING JULIUS-MAXIMILIANS-UNIVERSITÄT WÜRZBURG (DE) 2009-04-02 WO disclosed
EP-2040075-A1 Compounds and markers for surface-enhanced raman scattering Julius-Maximilians-Universität Würzburg (DE) 2009-03-25 EP disclosed
EP-2040075-A1 Compounds and markers for surface-enhanced raman scattering Julius-Maximilians-Universität Würzburg (DE) 2009-03-25 EP 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 (1 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-20100284917-A1 COMPOUNDS AND MARKERS FOR SURFACE-ENHANCED RAMAN SCATTERING EPCAM, SELE, CD44 ALDH1A1 98/4885TP53 511/4885DTYMK 4515/4885

“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.