SCHEMBL756889

SCHEMBL756889

COCCNC(=O)C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
POLB P06746 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
EPHX1 P07099 1/20 0.52
CA3 P07451 2/20 0.50
CA5A P35218 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.43
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL30093387 0.88 SMN1; SMN2 (0.50) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL24793189 0.88 SMN1; SMN2 (0.50) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL38654908 0.82 SMN1; SMN2 (0.62) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL2697702 0.80 ALDH1A1 (0.42) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL13844923 0.80 ALDH1A1 (0.46) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL13847041 0.79 ALDH1A1 (0.54) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL21126161 0.78 MEN1 (0.41) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL10971819 0.78 GAA (0.47) ALDH1A1SMN1; SMN2MEN1KMT2ATSHR
SCHEMBL31194929 0.78 ALDH1A1 (0.58) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL13861685 0.78 ALDH1A1 (0.79) ALDH1A1POLBSMN1; SMN2MEN1KMT2A

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2640724-A1 NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-09-25 EP claimed
US-20130245006-A1 NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-09-19 US claimed
WO-2012066234-A9 NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-11-01 WO claimed
WO-2012066234-A1 NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-24 WO claimed
EP-2640724-A1 NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-09-25 EP disclosed
US-20130245006-A1 NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-09-19 US disclosed
WO-2012066234-A9 NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-11-01 WO disclosed
WO-2012066234-A1 NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-05-24 WO disclosed
US-8138272-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-03-20 US disclosed
US-8003769-B2 Dye-labeled ribonucleotide triphosphates APPLIED BIOSYSTEMS, LLC (US) 2011-08-23 US disclosed
US-20100292457-A1 Dye-labeled ribonucleotide triphosphates APPLIED BIOSYSTEMS, LLC (US) 2010-11-18 US disclosed
US-7678892-B2 Dye-labeled ribonucleotide triphosphates APPLIED BIOSYSTEMS, LLC (US) 2010-03-16 US disclosed
US-20080031848-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds ELAN PHARMACEUTICALS, INC. 2008-02-07 US disclosed
US-20070293662-A1 Dye-labeled ribonucleotide triphosphates APPLERA CORPORATION (US) 2007-12-20 US disclosed
WO-1994026738-A1 N'-HETEROCYCLYL-N-BENZOFURANYL UREA DERIVATIVES AND THEIR ANALOGS AS ACAT INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-11-24 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 (4 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-20080031848-A1 Preparation of Polymer Conjugates of Therapeutic, Agricultural, and Food Additive Compounds PIGO, MANBA, OAT ALDH1A1 174/4885POLB 76/4885SMN1; SMN2 1142/4885
US-20100292457-A1 Dye-labeled ribonucleotide triphosphates DUT, POLRMT, SAMHD1 ALDH1A1 590/4885POLB 18/4885SMN1; SMN2 3432/4885
US-20130245006-A1 NOVEL INDOLIZINE DERIVATIVES, AND PREPARATION AND THERAPEUTIC USE THEREOF INMT, TPH2, IDO2 ALDH1A1 1356/4885POLB 2902/4885SMN1; SMN2 2550/4885
US-20070293662-A1 Dye-labeled ribonucleotide triphosphates DUT, POLRMT, SAMHD1 ALDH1A1 590/4885POLB 18/4885SMN1; SMN2 3432/4885

“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.