SCHEMBL4168809

SCHEMBL4168809

CN(O)C(=O)c1cc2c(S(=O)(=O)N3CCNC(=O)C3)cn(Cc3ccc(F)cc3F)c2cn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 6/20 0.37
FEN1 P39748 6/20 0.37
TDO2 P48775 1/20 0.35
FSCN1 Q16658 1/20 0.34
GFER P55789 1/20 0.34
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
GPR6 P46095 1/20 0.33
MCHR1 Q99705 1/20 0.33
EPHX2 P34913 1/20 0.33
PKM P14618 1/20 0.32
NAE1 Q13564 1/20 0.32
UBA3 Q8TBC4 1/20 0.32
SAE1 Q9UBE0 1/20 0.32
UBA2 Q9UBT2 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.32

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
SCHEMBL4171952 0.88 ALOX5AP (0.37) ALOX5APFEN1TDO2FSCN1GFER
SCHEMBL4175452 0.87 ALOX5AP (0.37) ALOX5APFEN1TDO2FSCN1GFER
SCHEMBL4158363 0.81 RORC (0.37) ALOX5APFEN1FSCN1HTR2AHTR2C
SCHEMBL2945282 0.78 FSCN1 (0.41) FSCN1GPR6PKMPTGDR2
SCHEMBL2951355 0.77 FSCN1 (0.38) FSCN1GPR6PKMPTGDR2
SCHEMBL4807009 0.76 HTR6 (0.43) FSCN1GPR6
SCHEMBL4809242 0.76 GPR6 (0.40) FSCN1GPR6PTGDR2
SCHEMBL4800116 0.76 GRM2 (0.44) MCHR1
SCHEMBL4180431 0.76 MAPT (0.45)
SCHEMBL1684271 0.75 FSCN1 (0.37) FSCN1GPR6PTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US claimed
EP-1943249-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-07-16 EP claimed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 WO claimed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
US-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER INC 2009-07-02 US disclosed
EP-1943249-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME Pfizer Products Incorporated (US) 2008-07-16 EP disclosed
WO-2007039802-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME PFIZER PRODUCTS INC. (US) 2007-04-12 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-20090170846-A1 INHIBITORS OF THE HIV INTEGRASE ENZYME IMPDH1, IMPA1, TYMP ALOX5AP 3852/4885FEN1 111/4885TDO2 1781/4885

“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.