SCHEMBL4180431

SCHEMBL4180431

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
KMT2A Q03164 4/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.41
AXL P30530 1/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
LMNA P02545 2/20 0.39
PRNP P04156 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL4166906 0.86 L3MBTL1 (0.46) MAPTKMT2AATMTDP1L3MBTL1
SCHEMBL1684265 0.85 RXFP1 (0.41) MAPTKMT2ATP53AXLMEN1
SCHEMBL4156780 0.80 MET (0.38) MAPTKDM4EALDH1A1HPGDLMNA
SCHEMBL14541885 0.80 MET (0.39) MAPTTP53KDM4EALDH1A1HPGD
SCHEMBL13778809 0.79 CNR2 (0.48) ALDH1A1HPGDLMNA
SCHEMBL4166420 0.79 LMNA (0.37) MAPTKMT2ATP53MEN1KDM4E
SCHEMBL4803423 0.78 PDE1A (0.40) MAPTKMT2AMEN1MAPK1KDM4E
SCHEMBL4175427 0.78 BRD4 (0.40) MAPTKMT2AMEN1LMNAPRNP
SCHEMBL4798568 0.76 THRB (0.39) MAPTPRNPPOLB
SCHEMBL4805325 0.76 CACNB4 (0.47) ALDH1A1

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 7 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
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 MAPT 615/4885KMT2A 1368/4885ATM 3139/4885

“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.