SCHEMBL4166906

SCHEMBL4166906

CONC(=O)c1cc2c(S(=O)(=O)N3CCOCC3)cn(Cc3ccc(F)cc3)c2cn1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
ATM Q13315 1/20 0.44
TP53 P04637 1/20 0.43
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
CLK1 P49759 1/20 0.41
LMNA P02545 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
AXL P30530 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL4180431 0.86 MAPT (0.45) L3MBTL1TDP1KMT2AMAPTATM
SCHEMBL4173800 0.81 SMN1; SMN2 (0.40) KMT2AMAPTTP53MEN1LMNA
SCHEMBL13778782 0.80 KCNH2 (0.46) ALDH1A1LMNASMN1; SMN2CNR2
SCHEMBL4171462 0.79 SMN1; SMN2 (0.38) KMT2AMAPTTP53MEN1ALDH1A1
SCHEMBL4156728 0.79 GRM4 (0.39) MAPTTP53LMNASMN1; SMN2AXL
SCHEMBL4805963 0.77 MMP13 (0.41) KMT2AMAPTMEN1
SCHEMBL4175452 0.77 ALOX5AP (0.37) MAPT
SCHEMBL4172897 0.77 PIK3CA (0.41) L3MBTL1ALDH1A1SMN1; SMN2CNR2
SCHEMBL4165047 0.76 SLC22A12 (0.40) LMNASMN1; SMN2
SCHEMBL4163667 0.76 MEN1 (0.42) KMT2AMAPTMEN1

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 9 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
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 L3MBTL1 1290/4885TDP1 50/4885KMT2A 1368/4885

“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.