SCHEMBL1684266

SCHEMBL1684266

COc1ncccc1NS(=O)(=O)c1cn(Cc2ccc(F)cc2)c2cnc(C(=O)N(C)O)cc12

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.40
PIK3CA P42336 15/20 0.39
NAMPT P43490 1/20 0.38
PIK3CD O00329 2/20 0.37
PIK3CB P42338 2/20 0.37
MTOR P42345 2/20 0.37
PIK3CG P48736 2/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GRM4 Q14833 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36

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
SCHEMBL4165047 0.89 SLC22A12 (0.40) SLC22A12PIK3CANAMPTSMN1; SMN2GRM4
SCHEMBL1684265 0.79 RXFP1 (0.41) TP53POLBSMN1; SMN2
SCHEMBL4165161 0.79 MEN1 (0.44) PIK3CAMTORTP53POLBSMN1; SMN2
SCHEMBL4166420 0.79 LMNA (0.37) TP53POLBSMN1; SMN2
SCHEMBL4175427 0.78 BRD4 (0.40) POLBSMN1; SMN2
SCHEMBL4798568 0.75 THRB (0.39) POLB
SCHEMBL4180431 0.74 MAPT (0.45) TP53POLB
SCHEMBL1684246 0.74 POLB (0.40) TP53POLB
SCHEMBL14541885 0.73 MET (0.39) TP53POLBSMN1; SMN2GRM4
SCHEMBL4162951 0.72 SMN1; SMN2 (0.42) TP53POLBSMN1; SMN2

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
WO-2011041512-A2 COMPOSITIONS AND METHODS FOR TREATING MLV-INFECTION, AND PREVENTING AND TREATING MLV-INITIATED DISEASES EMORY UNIVERSITY (US) 2011-04-07 WO 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 SLC22A12 2885/4885PIK3CA 180/4885NAMPT 417/4885

“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.