SCHEMBL4171952

SCHEMBL4171952

O=C1CN(S(=O)(=O)c2cn(Cc3ccc(F)cc3F)c3cnc(C(=O)NO)cc23)CCN1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 6/20 0.37
FEN1 P39748 6/20 0.37
FSCN1 Q16658 1/20 0.36
TDO2 P48775 1/20 0.36
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
NAE1 Q13564 1/20 0.34
UBA3 Q8TBC4 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
PKM P14618 2/20 0.33
GRM4 Q14833 1/20 0.33
EPHX2 P34913 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
RAB9A P51151 1/20 0.33
GFER P55789 1/20 0.32
XDH P47989 1/20 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
SCHEMBL4175452 0.91 ALOX5AP (0.37) ALOX5APFEN1FSCN1TDO2HTR2A
SCHEMBL4168809 0.88 ALOX5AP (0.37) ALOX5APFEN1FSCN1TDO2HTR2A
SCHEMBL14541741 0.82 FSCN1 (0.38) FSCN1PDCD1CD274NAE1UBA3
SCHEMBL4179337 0.80 RORC (0.37) ALOX5APFEN1FSCN1NAE1UBA3
SCHEMBL2949469 0.76 FSCN1 (0.42) FSCN1GRM4HDAC1HDAC6
SCHEMBL2951370 0.76 FSCN1 (0.42) FSCN1HDAC1HDAC6
SCHEMBL2943245 0.76 FSCN1 (0.42) FSCN1HDAC1HDAC6
SCHEMBL4175473 0.76 PIK3CD (0.39) EPHX2
SCHEMBL4805300 0.76 PDCD1 (0.46) PDCD1CD274HDAC1HDAC6
SCHEMBL4805939 0.75 KDM4E (0.50) FSCN1PDCD1CD274HDAC1HDAC6

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
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

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 111/4885FSCN1 4815/4885

“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.