SCHEMBL9963471

SCHEMBL9963471

FC(F)(F)c1cc(N=C=S)cc(N=C=S)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 4/20 0.39
ITGB3 P05106 1/20 0.37
ITGAV P06756 1/20 0.37
P2RY6 Q15077 1/20 0.35
XPO1 O14980 1/20 0.34
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
CES2 O00748 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.31
PNMT P11086 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
SCHEMBL1019463 0.95 ITGB3 (0.41) MIFITGB3ITGAVP2RY6XPO1
SCHEMBL12762509 0.88 MIF (0.34) MIFITGB3ITGAVP2RY6XPO1
SCHEMBL13056509 0.86 MIF (0.37) MIFITGB3ITGAVP2RY6XPO1
SCHEMBL28101089 0.86 NOTUM (0.37) MIFITGB3ITGAVP2RY6XPO1
SCHEMBL29717704 0.86 RAPGEF4 (0.35) MIFITGB3ITGAV
SCHEMBL16013206 0.86 RAPGEF4 (0.35) MIFITGB3ITGAV
SCHEMBL18619759 0.83 MIF (0.41) MIFITGB3ITGAVP2RY6XPO1
SCHEMBL21996130 0.83 KIF11 (0.38) MIFITGB3ITGAV
SCHEMBL7387255 0.80 MIF (0.55) MIFP2RY6CA1CA2PNMT
SCHEMBL759369 0.79 HTR3E (0.53) MIFHTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2032583-B1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-11-19 EP disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US disclosed
WO-2007144370-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 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 (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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 MIF 1568/4885ITGB3 2887/4885ITGAV 3514/4885

“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.