SCHEMBL4156780

SCHEMBL4156780

CN(O)C(=O)c1cc2c(S(=O)(=O)N(C)CC3COCCO3)cn(Cc3ccc(F)cc3)c2cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.38
AURKA O14965 1/20 0.38
JAK2 O60674 1/20 0.38
ABL1 P00519 1/20 0.38
NTRK1 P04629 1/20 0.38
RET P07949 1/20 0.38
CYP3A4 P08684 1/20 0.38
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
CYP2C9 P11712 1/20 0.38
NQO2 P16083 1/20 0.38
FLT1 P17948 1/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
FECH P22830 1/20 0.38
FLT4 P35916 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38
MAPK9 P45984 1/20 0.38
MAPK10 P53779 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
SCHEMBL4156728 0.88 GRM4 (0.39) METAURKAJAK2ABL1NTRK1
SCHEMBL14541884 0.88 GRM4 (0.38) METAURKAJAK2ABL1NTRK1
SCHEMBL14541885 0.87 MET (0.39) METAURKAJAK2ABL1NTRK1
SCHEMBL1684265 0.82 RXFP1 (0.41) LMNASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL4180431 0.80 MAPT (0.45) LMNAALDH1A1KDM4EHPGDMAPT
SCHEMBL4166420 0.73 LMNA (0.37) LMNASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL4170043 0.73 CHRM1 (0.50) LMNASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL4798568 0.73 THRB (0.39) MAPTPRNPPOLBTHRB
SCHEMBL4803423 0.73 PDE1A (0.40) GRM4KDM4EMAPTPRNPPOLB
SCHEMBL4175427 0.72 BRD4 (0.40) LMNASMN1; SMN2MAPTPRNPPOLB

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 MET 4445/4885AURKA 358/4885JAK2 3392/4885

“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.